3-(4-methoxyphenyl)-1-[[4-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]methyl]-1-propan-2-ylurea

C20H26N4O4S — CID 1199713

IUPAC3-(4-methoxyphenyl)-1-[[4-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]methyl]-1-propan-2-ylurea
SMILESCOc1ccc(NC(=O)N(Cc2nc(C(=O)N3CCOCC3)cs2)C(C)C)cc1
InChIInChI=1S/C20H26N4O4S/c1-14(2)24(20(26)21-15-4-6-16(27-3)7-5-15)12-18-22-17(13-29-18)19(25)23-8-10-28-11-9-23/h4-7,13-14H,8-12H2,1-3H3,(H,21,26)
InChIKeyOJOLRCXZLIWOLK-UHFFFAOYSA-N
MW418.52 g/mol
LogP3.07
Rot. Bonds6

About 3-(4-methoxyphenyl)-1-[[4-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]methyl]-1-propan-2-ylurea

3-(4-methoxyphenyl)-1-[[4-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]methyl]-1-propan-2-ylurea (PubChem CID 1199713) has the molecular formula C20H26N4O4S and a molecular weight of 418.52 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-1-[[4-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]methyl]-1-propan-2-ylurea.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-1-[[4-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]methyl]-1-propan-2-ylurea
PubChem CID1199713
Molecular FormulaC20H26N4O4S
Molecular Weight418.52 g/mol
Exact Mass418.17
IUPAC Name3-(4-methoxyphenyl)-1-[[4-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]methyl]-1-propan-2-ylurea
SMILESCOc1ccc(NC(=O)N(Cc2nc(C(=O)N3CCOCC3)cs2)C(C)C)cc1
InChIInChI=1S/C20H26N4O4S/c1-14(2)24(20(26)21-15-4-6-16(27-3)7-5-15)12-18-22-17(13-29-18)19(25)23-8-10-28-11-9-23/h4-7,13-14H,8-12H2,1-3H3,(H,21,26)
InChIKeyOJOLRCXZLIWOLK-UHFFFAOYSA-N
XLogP3.07
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[[4-(4-acetylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]methyl]-1-propan-2-yl-3-(4-propan-2-ylphenyl)urea
CID 1199692
3-(3-chlorophenyl)-1-[[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]methyl]-1-propan-2-ylurea
CID 1200426
3-(4-chlorophenyl)-1-[[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1,3-thiazol-2-yl]methyl]-1-propan-2-ylurea
CID 1199408
2-[[(4-methoxyphenyl)carbamoyl-propan-2-ylamino]methyl]-N-(3-methylbutyl)-1,3-thiazole-4-carboxamide
CID 1199747
1-[[4-(4-benzhydrylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]methyl]-1-propan-2-yl-3-(4-propan-2-ylphenyl)urea
CID 4316854
1-[[4-(4-benzhydrylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]methyl]-3-(4-chlorophenyl)-1-propan-2-ylurea
CID 1199395
1-[[4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]methyl]-1-propan-2-yl-3-(4-propan-2-ylphenyl)urea
CID 1199690
N-[5-(diethylamino)pentan-2-yl]-2-[[(4-methoxyphenyl)carbamoyl-propan-2-ylamino]methyl]-1,3-thiazole-4-carboxamide
CID 5133696
3-(3-chlorophenyl)-1-(2-methoxyethyl)-1-[[4-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]methyl]urea
CID 4027870
methyl 2-[[(3,4-dichlorophenyl)carbamoyl-propan-2-ylamino]methyl]-1,3-thiazole-4-carboxylate
CID 1196474
ethyl 2-[[(3-methoxyphenyl)carbamoyl-propan-2-ylamino]methyl]-1,3-thiazole-4-carboxylate
CID 1198299
1-[[4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]methyl]-3-(2,6-dimethylphenyl)-1-propan-2-ylurea
CID 1199635

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-1-[[4-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]methyl]-1-propan-2-ylurea?
The IUPAC name of 3-(4-methoxyphenyl)-1-[[4-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]methyl]-1-propan-2-ylurea (CID 1199713) is 3-(4-methoxyphenyl)-1-[[4-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]methyl]-1-propan-2-ylurea.
What is the SMILES notation for 3-(4-methoxyphenyl)-1-[[4-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]methyl]-1-propan-2-ylurea?
The canonical SMILES for 3-(4-methoxyphenyl)-1-[[4-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]methyl]-1-propan-2-ylurea is COc1ccc(NC(=O)N(Cc2nc(C(=O)N3CCOCC3)cs2)C(C)C)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-1-[[4-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]methyl]-1-propan-2-ylurea?
The InChIKey is OJOLRCXZLIWOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O4S/c1-14(2)24(20(26)21-15-4-6-16(27-3)7-5-15)12-18-22-17(13-29-18)19(25)23-8-10-28-11-9-23/h4-7,13-14H,8-12H2,1-3H3,(H,21,26).
What are the key properties of 3-(4-methoxyphenyl)-1-[[4-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]methyl]-1-propan-2-ylurea?
3-(4-methoxyphenyl)-1-[[4-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]methyl]-1-propan-2-ylurea has a molecular weight of 418.52 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-1-[[4-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]methyl]-1-propan-2-ylurea is sourced from PubChem (CID 1199713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).