2-(4-aminophenyl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-methylpropanamide

C16H19N3OS — CID 80555214

IUPAC2-(4-aminophenyl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-methylpropanamide
SMILESCC(C)(C(=O)Nc1nc2c(s1)CCC2)c1ccc(N)cc1
InChIInChI=1S/C16H19N3OS/c1-16(2,10-6-8-11(17)9-7-10)14(20)19-15-18-12-4-3-5-13(12)21-15/h6-9H,3-5,17H2,1-2H3,(H,18,19,20)
InChIKeyCCUNJDIRFPYPEH-UHFFFAOYSA-N
MW301.41 g/mol
LogP3.13
Rot. Bonds3

About 2-(4-aminophenyl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-methylpropanamide

2-(4-aminophenyl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-methylpropanamide (PubChem CID 80555214) has the molecular formula C16H19N3OS and a molecular weight of 301.41 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-methylpropanamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-methylpropanamide
PubChem CID80555214
Molecular FormulaC16H19N3OS
Molecular Weight301.41 g/mol
Exact Mass301.12
IUPAC Name2-(4-aminophenyl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-methylpropanamide
SMILESCC(C)(C(=O)Nc1nc2c(s1)CCC2)c1ccc(N)cc1
InChIInChI=1S/C16H19N3OS/c1-16(2,10-6-8-11(17)9-7-10)14(20)19-15-18-12-4-3-5-13(12)21-15/h6-9H,3-5,17H2,1-2H3,(H,18,19,20)
InChIKeyCCUNJDIRFPYPEH-UHFFFAOYSA-N
XLogP3.13
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-tert-butyl-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)benzamide
CID 3595429
2-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3,3,3-trifluoro-2-methylpropanamide
CID 79805203
2-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-methylpentanamide
CID 54963900
1-(4-aminophenyl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)cyclopropane-1-carboxamide
CID 115913571
4-N-tert-butyl-1-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)benzene-1,4-dicarboxamide
CID 48850842
5-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1H-indole-2-carboxamide
CID 62057299
N-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)acetamide
CID 930096
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)benzamide
CID 5140427
4-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1H-pyrrole-2-carboxamide
CID 54962823
5-amino-2-methyl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)benzamide
CID 120619567
2-(5-amino-2-pyridinyl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)acetamide
CID 107338507
methyl N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)carbamate
CID 115571632

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-methylpropanamide?
The IUPAC name of 2-(4-aminophenyl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-methylpropanamide (CID 80555214) is 2-(4-aminophenyl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-methylpropanamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-methylpropanamide?
The canonical SMILES for 2-(4-aminophenyl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-methylpropanamide is CC(C)(C(=O)Nc1nc2c(s1)CCC2)c1ccc(N)cc1.
What is the InChIKey of 2-(4-aminophenyl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-methylpropanamide?
The InChIKey is CCUNJDIRFPYPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-16(2,10-6-8-11(17)9-7-10)14(20)19-15-18-12-4-3-5-13(12)21-15/h6-9H,3-5,17H2,1-2H3,(H,18,19,20).
What are the key properties of 2-(4-aminophenyl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-methylpropanamide?
2-(4-aminophenyl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-methylpropanamide has a molecular weight of 301.41 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-methylpropanamide is sourced from PubChem (CID 80555214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).