1-[4-[amino(phenyl)methyl]-1,3-thiazol-2-yl]-3-(4-propan-2-ylphenyl)urea

C20H22N4OS — CID 46942828

IUPAC1-[4-[amino(phenyl)methyl]-1,3-thiazol-2-yl]-3-(4-propan-2-ylphenyl)urea
SMILESCC(C)c1ccc(NC(=O)Nc2nc(C(N)c3ccccc3)cs2)cc1
InChIInChI=1S/C20H22N4OS/c1-13(2)14-8-10-16(11-9-14)22-19(25)24-20-23-17(12-26-20)18(21)15-6-4-3-5-7-15/h3-13,18H,21H2,1-2H3,(H2,22,23,24,25)
InChIKeyMBOMVNWPERHPRG-UHFFFAOYSA-N
MW366.49 g/mol
LogP4.96
Rot. Bonds5

About 1-[4-[amino(phenyl)methyl]-1,3-thiazol-2-yl]-3-(4-propan-2-ylphenyl)urea

1-[4-[amino(phenyl)methyl]-1,3-thiazol-2-yl]-3-(4-propan-2-ylphenyl)urea (PubChem CID 46942828) has the molecular formula C20H22N4OS and a molecular weight of 366.49 g/mol. Its IUPAC name is 1-[4-[amino(phenyl)methyl]-1,3-thiazol-2-yl]-3-(4-propan-2-ylphenyl)urea.

Molecular Properties

Compound Name1-[4-[amino(phenyl)methyl]-1,3-thiazol-2-yl]-3-(4-propan-2-ylphenyl)urea
PubChem CID46942828
Molecular FormulaC20H22N4OS
Molecular Weight366.49 g/mol
Exact Mass366.15
IUPAC Name1-[4-[amino(phenyl)methyl]-1,3-thiazol-2-yl]-3-(4-propan-2-ylphenyl)urea
SMILESCC(C)c1ccc(NC(=O)Nc2nc(C(N)c3ccccc3)cs2)cc1
InChIInChI=1S/C20H22N4OS/c1-13(2)14-8-10-16(11-9-14)22-19(25)24-20-23-17(12-26-20)18(21)15-6-4-3-5-7-15/h3-13,18H,21H2,1-2H3,(H2,22,23,24,25)
InChIKeyMBOMVNWPERHPRG-UHFFFAOYSA-N
XLogP4.96
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 54.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-Methyl-1-[4-methyl-5-(methylsulfamoyl)thiazol-2-yl]-3-(4-phenylphenyl)urea
CID 491975
4-methyl-N,5-diphenyl-1,3-thiazol-2-amine
CID 2336973
N-Phenyl-N'-(4-phenyl-2-thiazolyl)urea
CID 832542
4-tert-butyl-N-(2-isopropylphenyl)thiazol-2-amine
CID 44411266
(2S)-2-amino-N-(4,5-diphenyl-1,3-thiazol-2-yl)propanamide
CID 23646351
1-[2-(Dimethylamino)ethyl]-3-[6-(2-ethylphenyl)-1,3-benzothiazol-2-yl]urea
CID 71654679
1-[4-(3,4-Difluorophenyl)-1,3-thiazol-2-yl]-3-phenylurea
CID 2810741
1-(2,4-Difluorophenyl)-3-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]urea
CID 2810744
N-(4-methylphenyl)-N'-[4-(5-methyl-2-thienyl)-1,3-thiazol-2-yl]urea
CID 1223803
N-(3,4-dimethylphenyl)-4-phenyl-1,3-thiazol-2-amine
CID 753967
N-(4-(2-(4-((amino(imino)methyl)amino)phenyl)ethyl)-1,3-thiazol-2-yl)acetamide
CID 9817917
1-(5-Decyl-4-methyl-thiazol-2-yl)-3-(2,6-diisopropyl-phenyl)-urea
CID 9846939

Frequently Asked Questions

What is the IUPAC name of 1-[4-[amino(phenyl)methyl]-1,3-thiazol-2-yl]-3-(4-propan-2-ylphenyl)urea?
The IUPAC name of 1-[4-[amino(phenyl)methyl]-1,3-thiazol-2-yl]-3-(4-propan-2-ylphenyl)urea (CID 46942828) is 1-[4-[amino(phenyl)methyl]-1,3-thiazol-2-yl]-3-(4-propan-2-ylphenyl)urea.
What is the SMILES notation for 1-[4-[amino(phenyl)methyl]-1,3-thiazol-2-yl]-3-(4-propan-2-ylphenyl)urea?
The canonical SMILES for 1-[4-[amino(phenyl)methyl]-1,3-thiazol-2-yl]-3-(4-propan-2-ylphenyl)urea is CC(C)c1ccc(NC(=O)Nc2nc(C(N)c3ccccc3)cs2)cc1.
What is the InChIKey of 1-[4-[amino(phenyl)methyl]-1,3-thiazol-2-yl]-3-(4-propan-2-ylphenyl)urea?
The InChIKey is MBOMVNWPERHPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4OS/c1-13(2)14-8-10-16(11-9-14)22-19(25)24-20-23-17(12-26-20)18(21)15-6-4-3-5-7-15/h3-13,18H,21H2,1-2H3,(H2,22,23,24,25).
What are the key properties of 1-[4-[amino(phenyl)methyl]-1,3-thiazol-2-yl]-3-(4-propan-2-ylphenyl)urea?
1-[4-[amino(phenyl)methyl]-1,3-thiazol-2-yl]-3-(4-propan-2-ylphenyl)urea has a molecular weight of 366.49 g/mol, XLogP of 4.96, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[amino(phenyl)methyl]-1,3-thiazol-2-yl]-3-(4-propan-2-ylphenyl)urea is sourced from PubChem (CID 46942828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).