1-[2-(2-methoxybenzoyl)-4-methylphenyl]-3-[4-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]urea;methyl N-[[2-[[2-(2-methoxybenzoyl)-4-methylphenyl]carbamoylamino]-1,3-thiazol-4-yl]methyl]carbamate

C46H46N8O10S2 — CID 159160427

IUPAC1-[2-(2-methoxybenzoyl)-4-methylphenyl]-3-[4-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]urea;methyl N-[[2-[[2-(2-methoxybenzoyl)-4-methylphenyl]carbamoylamino]-1,3-thiazol-4-yl]methyl]carbamate
SMILESCOC(=O)NCc1csc(NC(=O)Nc2ccc(C)cc2C(=O)c2ccccc2OC)n1.COc1ccccc1C(=O)c1cc(C)ccc1NC(=O)Nc1nc(C(=O)N2CCOCC2)cs1
InChIInChI=1S/C24H24N4O5S.C22H22N4O5S/c1-15-7-8-18(17(13-15)21(29)16-5-3-4-6-20(16)32-2)25-23(31)27-24-26-19(14-34-24)22(30)28-9-11-33-12-10-28;1-13-8-9-17(16(10-13)19(27)15-6-4-5-7-18(15)30-2)25-20(28)26-21-24-14(12-32-21)11-23-22(29)31-3/h3-8,13-14H,9-12H2,1-2H3,(H2,25,26,27,31);4-10,12H,11H2,1-3H3,(H,23,29)(H2,24,25,26,28)
InChIKeyKKKMUMGUHGJUMA-UHFFFAOYSA-N
MW935.05 g/mol
LogP8.00
Rot. Bonds13

About 1-[2-(2-methoxybenzoyl)-4-methylphenyl]-3-[4-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]urea;methyl N-[[2-[[2-(2-methoxybenzoyl)-4-methylphenyl]carbamoylamino]-1,3-thiazol-4-yl]methyl]carbamate

1-[2-(2-methoxybenzoyl)-4-methylphenyl]-3-[4-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]urea;methyl N-[[2-[[2-(2-methoxybenzoyl)-4-methylphenyl]carbamoylamino]-1,3-thiazol-4-yl]methyl]carbamate (PubChem CID 159160427) has the molecular formula C46H46N8O10S2 and a molecular weight of 935.05 g/mol. Its IUPAC name is 1-[2-(2-methoxybenzoyl)-4-methylphenyl]-3-[4-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]urea;methyl N-[[2-[[2-(2-methoxybenzoyl)-4-methylphenyl]carbamoylamino]-1,3-thiazol-4-yl]methyl]carbamate.

Molecular Properties

Compound Name1-[2-(2-methoxybenzoyl)-4-methylphenyl]-3-[4-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]urea;methyl N-[[2-[[2-(2-methoxybenzoyl)-4-methylphenyl]carbamoylamino]-1,3-thiazol-4-yl]methyl]carbamate
PubChem CID159160427
Molecular FormulaC46H46N8O10S2
Molecular Weight935.05 g/mol
Exact Mass934.28
IUPAC Name1-[2-(2-methoxybenzoyl)-4-methylphenyl]-3-[4-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]urea;methyl N-[[2-[[2-(2-methoxybenzoyl)-4-methylphenyl]carbamoylamino]-1,3-thiazol-4-yl]methyl]carbamate
SMILESCOC(=O)NCc1csc(NC(=O)Nc2ccc(C)cc2C(=O)c2ccccc2OC)n1.COc1ccccc1C(=O)c1cc(C)ccc1NC(=O)Nc1nc(C(=O)N2CCOCC2)cs1
InChIInChI=1S/C24H24N4O5S.C22H22N4O5S/c1-15-7-8-18(17(13-15)21(29)16-5-3-4-6-20(16)32-2)25-23(31)27-24-26-19(14-34-24)22(30)28-9-11-33-12-10-28;1-13-8-9-17(16(10-13)19(27)15-6-4-5-7-18(15)30-2)25-20(28)26-21-24-14(12-32-21)11-23-22(29)31-3/h3-8,13-14H,9-12H2,1-2H3,(H2,25,26,27,31);4-10,12H,11H2,1-3H3,(H,23,29)(H2,24,25,26,28)
InChIKeyKKKMUMGUHGJUMA-UHFFFAOYSA-N
XLogP8.00
TPSA228.51 Ų
H-Bond Donors5
H-Bond Acceptors14
Rotatable Bonds13
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500935.05
LogP ≤ 58.00
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1014

Analyze 1-[2-(2-methoxybenzoyl)-4-methylphenyl]-3-[4-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]urea;methyl N-[[2-[[2-(2-methoxybenzoyl)-4-methylphenyl]carbamoylamino]-1,3-thiazol-4-yl]methyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[(diaminomethylideneamino)methyl]-1,3-thiazol-2-yl]-3-[2-(2-methoxybenzoyl)-4-methylphenyl]urea;2-[[2-[[2-(2-methoxybenzoyl)-4-methylphenyl]carbamoylamino]-1,3-thiazol-4-yl]methylcarbamoylamino]acetic acid
CID 158867574
methyl N-[2-(morpholine-4-carbonyl)phenyl]carbamate
CID 740590
[2-[(2,4-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]-morpholin-4-ylmethanone
CID 42835488
1-[4-(azepane-1-carbonyl)-1,3-thiazol-2-yl]-3-(3-methylphenyl)urea
CID 16948435
4-[[2-[[2-(2-methoxybenzoyl)-4-methylphenyl]carbamoylamino]-1,3-thiazol-5-yl]methylsulfonyl]benzoic acid
CID 87230387
2-[5-bromo-2-[[2-(2-methoxybenzoyl)-4-methylphenyl]carbamoylamino]-1,3-thiazol-4-yl]acetic acid;2-[5-chloro-2-[[2-(2-methoxybenzoyl)-4-methylphenyl]carbamoylamino]-1,3-thiazol-4-yl]acetic acid
CID 157389716
2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetic acid
CID 16772505
N-cyclopropyl-2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 27451343
(2-methoxyphenyl)-[2-(methylamino)-1,3-thiazol-4-yl]methanone
CID 82131144
methyl 3-[[2-[[2-(cyclopentanecarbonyl)-4-methylphenyl]carbamoylamino]-1,3-thiazol-4-yl]methylsulfamoyl]propanoate
CID 59732833
N-(2-methoxy-4-methylphenyl)-2-[2-[(3-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 18567570
2-ethoxy-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 30547705

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxybenzoyl)-4-methylphenyl]-3-[4-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]urea;methyl N-[[2-[[2-(2-methoxybenzoyl)-4-methylphenyl]carbamoylamino]-1,3-thiazol-4-yl]methyl]carbamate?
The IUPAC name of 1-[2-(2-methoxybenzoyl)-4-methylphenyl]-3-[4-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]urea;methyl N-[[2-[[2-(2-methoxybenzoyl)-4-methylphenyl]carbamoylamino]-1,3-thiazol-4-yl]methyl]carbamate (CID 159160427) is 1-[2-(2-methoxybenzoyl)-4-methylphenyl]-3-[4-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]urea;methyl N-[[2-[[2-(2-methoxybenzoyl)-4-methylphenyl]carbamoylamino]-1,3-thiazol-4-yl]methyl]carbamate.
What is the SMILES notation for 1-[2-(2-methoxybenzoyl)-4-methylphenyl]-3-[4-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]urea;methyl N-[[2-[[2-(2-methoxybenzoyl)-4-methylphenyl]carbamoylamino]-1,3-thiazol-4-yl]methyl]carbamate?
The canonical SMILES for 1-[2-(2-methoxybenzoyl)-4-methylphenyl]-3-[4-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]urea;methyl N-[[2-[[2-(2-methoxybenzoyl)-4-methylphenyl]carbamoylamino]-1,3-thiazol-4-yl]methyl]carbamate is COC(=O)NCc1csc(NC(=O)Nc2ccc(C)cc2C(=O)c2ccccc2OC)n1.COc1ccccc1C(=O)c1cc(C)ccc1NC(=O)Nc1nc(C(=O)N2CCOCC2)cs1.
What is the InChIKey of 1-[2-(2-methoxybenzoyl)-4-methylphenyl]-3-[4-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]urea;methyl N-[[2-[[2-(2-methoxybenzoyl)-4-methylphenyl]carbamoylamino]-1,3-thiazol-4-yl]methyl]carbamate?
The InChIKey is KKKMUMGUHGJUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O5S.C22H22N4O5S/c1-15-7-8-18(17(13-15)21(29)16-5-3-4-6-20(16)32-2)25-23(31)27-24-26-19(14-34-24)22(30)28-9-11-33-12-10-28;1-13-8-9-17(16(10-13)19(27)15-6-4-5-7-18(15)30-2)25-20(28)26-21-24-14(12-32-21)11-23-22(29)31-3/h3-8,13-14H,9-12H2,1-2H3,(H2,25,26,27,31);4-10,12H,11H2,1-3H3,(H,23,29)(H2,24,25,26,28).
What are the key properties of 1-[2-(2-methoxybenzoyl)-4-methylphenyl]-3-[4-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]urea;methyl N-[[2-[[2-(2-methoxybenzoyl)-4-methylphenyl]carbamoylamino]-1,3-thiazol-4-yl]methyl]carbamate?
1-[2-(2-methoxybenzoyl)-4-methylphenyl]-3-[4-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]urea;methyl N-[[2-[[2-(2-methoxybenzoyl)-4-methylphenyl]carbamoylamino]-1,3-thiazol-4-yl]methyl]carbamate has a molecular weight of 935.05 g/mol, XLogP of 8.00, 13 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxybenzoyl)-4-methylphenyl]-3-[4-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]urea;methyl N-[[2-[[2-(2-methoxybenzoyl)-4-methylphenyl]carbamoylamino]-1,3-thiazol-4-yl]methyl]carbamate is sourced from PubChem (CID 159160427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).