1-[4-(cyclopentylmethylamino)phenyl]-3-(4-methyl-1,3-thiazol-2-yl)urea

C17H22N4OS — CID 86882671

IUPAC1-[4-(cyclopentylmethylamino)phenyl]-3-(4-methyl-1,3-thiazol-2-yl)urea
SMILESCc1csc(NC(=O)Nc2ccc(NCC3CCCC3)cc2)n1
InChIInChI=1S/C17H22N4OS/c1-12-11-23-17(19-12)21-16(22)20-15-8-6-14(7-9-15)18-10-13-4-2-3-5-13/h6-9,11,13,18H,2-5,10H2,1H3,(H2,19,20,21,22)
InChIKeyFEAXXASBMDKAIP-UHFFFAOYSA-N
MW330.46 g/mol
LogP4.70
Rot. Bonds5

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

1-[4-(cyclopentylmethylamino)phenyl]-3-(4-methyl-1,3-thiazol-2-yl)urea (PubChem CID 86882671) has the molecular formula C17H22N4OS and a molecular weight of 330.46 g/mol. Its IUPAC name is 1-[4-(cyclopentylmethylamino)phenyl]-3-(4-methyl-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-[4-(cyclopentylmethylamino)phenyl]-3-(4-methyl-1,3-thiazol-2-yl)urea
PubChem CID86882671
Molecular FormulaC17H22N4OS
Molecular Weight330.46 g/mol
Exact Mass330.15
IUPAC Name1-[4-(cyclopentylmethylamino)phenyl]-3-(4-methyl-1,3-thiazol-2-yl)urea
SMILESCc1csc(NC(=O)Nc2ccc(NCC3CCCC3)cc2)n1
InChIInChI=1S/C17H22N4OS/c1-12-11-23-17(19-12)21-16(22)20-15-8-6-14(7-9-15)18-10-13-4-2-3-5-13/h6-9,11,13,18H,2-5,10H2,1H3,(H2,19,20,21,22)
InChIKeyFEAXXASBMDKAIP-UHFFFAOYSA-N
XLogP4.70
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.46
LogP ≤ 54.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-tert-butylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 47433240
1-cyclohexyl-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 4129191
1-[4-[1-(ethylamino)ethyl]phenyl]-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 61341658
ethane;N-(4-methyl-1,3-thiazol-2-yl)cyclohexanecarboxamide
CID 143608697
1-(2-ethylcyclohexyl)-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 78871885
2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 18567598
N-cycloheptyl-2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 18567701
3-[[(4-methyl-1,3-thiazol-2-yl)amino]methyl]cyclohexan-1-ol
CID 106129708
4-(cyclopropanecarbonylamino)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 17361667
N-(cyclohexylmethyl)-4-methyl-2-[(4-methylphenyl)carbamoylamino]-1,3-thiazole-5-carboxamide
CID 16897390
2-hydroxy-4-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]benzoic acid
CID 61195157
2-amino-2-cyclopropyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 60867878

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclopentylmethylamino)phenyl]-3-(4-methyl-1,3-thiazol-2-yl)urea?
The IUPAC name of 1-[4-(cyclopentylmethylamino)phenyl]-3-(4-methyl-1,3-thiazol-2-yl)urea (CID 86882671) is 1-[4-(cyclopentylmethylamino)phenyl]-3-(4-methyl-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-[4-(cyclopentylmethylamino)phenyl]-3-(4-methyl-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-[4-(cyclopentylmethylamino)phenyl]-3-(4-methyl-1,3-thiazol-2-yl)urea is Cc1csc(NC(=O)Nc2ccc(NCC3CCCC3)cc2)n1.
What is the InChIKey of 1-[4-(cyclopentylmethylamino)phenyl]-3-(4-methyl-1,3-thiazol-2-yl)urea?
The InChIKey is FEAXXASBMDKAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4OS/c1-12-11-23-17(19-12)21-16(22)20-15-8-6-14(7-9-15)18-10-13-4-2-3-5-13/h6-9,11,13,18H,2-5,10H2,1H3,(H2,19,20,21,22).
What are the key properties of 1-[4-(cyclopentylmethylamino)phenyl]-3-(4-methyl-1,3-thiazol-2-yl)urea?
1-[4-(cyclopentylmethylamino)phenyl]-3-(4-methyl-1,3-thiazol-2-yl)urea has a molecular weight of 330.46 g/mol, XLogP of 4.70, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclopentylmethylamino)phenyl]-3-(4-methyl-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 86882671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).