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

C21H24N4OS — CID 46943777

IUPAC1-[4-[amino(phenyl)methyl]-1,3-thiazol-2-yl]-3-(2-tert-butylphenyl)urea
SMILESCC(C)(C)c1ccccc1NC(=O)Nc1nc(C(N)c2ccccc2)cs1
InChIInChI=1S/C21H24N4OS/c1-21(2,3)15-11-7-8-12-16(15)23-19(26)25-20-24-17(13-27-20)18(22)14-9-5-4-6-10-14/h4-13,18H,22H2,1-3H3,(H2,23,24,25,26)
InChIKeyPUCLFKWKOOIDJG-UHFFFAOYSA-N
MW380.52 g/mol
LogP5.13
Rot. Bonds4

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

1-[4-[amino(phenyl)methyl]-1,3-thiazol-2-yl]-3-(2-tert-butylphenyl)urea (PubChem CID 46943777) has the molecular formula C21H24N4OS and a molecular weight of 380.52 g/mol. Its IUPAC name is 1-[4-[amino(phenyl)methyl]-1,3-thiazol-2-yl]-3-(2-tert-butylphenyl)urea.

Molecular Properties

Compound Name1-[4-[amino(phenyl)methyl]-1,3-thiazol-2-yl]-3-(2-tert-butylphenyl)urea
PubChem CID46943777
Molecular FormulaC21H24N4OS
Molecular Weight380.52 g/mol
Exact Mass380.17
IUPAC Name1-[4-[amino(phenyl)methyl]-1,3-thiazol-2-yl]-3-(2-tert-butylphenyl)urea
SMILESCC(C)(C)c1ccccc1NC(=O)Nc1nc(C(N)c2ccccc2)cs1
InChIInChI=1S/C21H24N4OS/c1-21(2,3)15-11-7-8-12-16(15)23-19(26)25-20-24-17(13-27-20)18(22)14-9-5-4-6-10-14/h4-13,18H,22H2,1-3H3,(H2,23,24,25,26)
InChIKeyPUCLFKWKOOIDJG-UHFFFAOYSA-N
XLogP5.13
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.52
LogP ≤ 55.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(1-amino-2-methylpropyl)-1,3-thiazol-2-yl]-3-(2-tert-butylphenyl)urea
CID 46947891
2-amino-N-(2-tert-butylphenyl)-2-phenylacetamide
CID 43702622
1-(2-fluorophenyl)-3-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]urea
CID 64543045
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-phenylbutanamide
CID 64556453
2-amino-N-(2-tert-butylphenyl)-3-methylbutanamide
CID 43702617
1-(2,2-dimethyl-1-phenylpropyl)-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 78892751
1-(2-tert-butylphenyl)-3-pyridin-2-ylurea
CID 110491801
1-(4-propan-2-yl-1,3-thiazol-2-yl)-3-pyridin-2-ylurea
CID 110491780
1-benzyl-3-(4-propan-2-yl-1,3-thiazol-2-yl)urea
CID 103616001
1-[4-[1-amino-2-(4-methoxyphenyl)ethyl]-1,3-thiazol-2-yl]-3-(2-propan-2-ylphenyl)urea
CID 46948096
1-(2-tert-butylphenyl)-3-(4-methylphenyl)urea
CID 841120
4-(2-tert-butylanilino)-2,3-dimethyl-4-oxobutanoic acid
CID 103496989

Frequently Asked Questions

What is the IUPAC name of 1-[4-[amino(phenyl)methyl]-1,3-thiazol-2-yl]-3-(2-tert-butylphenyl)urea?
The IUPAC name of 1-[4-[amino(phenyl)methyl]-1,3-thiazol-2-yl]-3-(2-tert-butylphenyl)urea (CID 46943777) is 1-[4-[amino(phenyl)methyl]-1,3-thiazol-2-yl]-3-(2-tert-butylphenyl)urea.
What is the SMILES notation for 1-[4-[amino(phenyl)methyl]-1,3-thiazol-2-yl]-3-(2-tert-butylphenyl)urea?
The canonical SMILES for 1-[4-[amino(phenyl)methyl]-1,3-thiazol-2-yl]-3-(2-tert-butylphenyl)urea is CC(C)(C)c1ccccc1NC(=O)Nc1nc(C(N)c2ccccc2)cs1.
What is the InChIKey of 1-[4-[amino(phenyl)methyl]-1,3-thiazol-2-yl]-3-(2-tert-butylphenyl)urea?
The InChIKey is PUCLFKWKOOIDJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4OS/c1-21(2,3)15-11-7-8-12-16(15)23-19(26)25-20-24-17(13-27-20)18(22)14-9-5-4-6-10-14/h4-13,18H,22H2,1-3H3,(H2,23,24,25,26).
What are the key properties of 1-[4-[amino(phenyl)methyl]-1,3-thiazol-2-yl]-3-(2-tert-butylphenyl)urea?
1-[4-[amino(phenyl)methyl]-1,3-thiazol-2-yl]-3-(2-tert-butylphenyl)urea has a molecular weight of 380.52 g/mol, XLogP of 5.13, 4 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-(2-tert-butylphenyl)urea is sourced from PubChem (CID 46943777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).