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

C16H17N3OS — CID 115913571

IUPAC1-(4-aminophenyl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)cyclopropane-1-carboxamide
SMILESNc1ccc(C2(C(=O)Nc3nc4c(s3)CCC4)CC2)cc1
InChIInChI=1S/C16H17N3OS/c17-11-6-4-10(5-7-11)16(8-9-16)14(20)19-15-18-12-2-1-3-13(12)21-15/h4-7H,1-3,8-9,17H2,(H,18,19,20)
InChIKeyZBJPHIWQTNCACM-UHFFFAOYSA-N
MW299.40 g/mol
LogP2.88
Rot. Bonds3

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

1-(4-aminophenyl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)cyclopropane-1-carboxamide (PubChem CID 115913571) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is 1-(4-aminophenyl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-aminophenyl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)cyclopropane-1-carboxamide
PubChem CID115913571
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC Name1-(4-aminophenyl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)cyclopropane-1-carboxamide
SMILESNc1ccc(C2(C(=O)Nc3nc4c(s3)CCC4)CC2)cc1
InChIInChI=1S/C16H17N3OS/c17-11-6-4-10(5-7-11)16(8-9-16)14(20)19-15-18-12-2-1-3-13(12)21-15/h4-7H,1-3,8-9,17H2,(H,18,19,20)
InChIKeyZBJPHIWQTNCACM-UHFFFAOYSA-N
XLogP2.88
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 52.88
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

1-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)cyclobutane-1-carboxamide
CID 81168772
2-(4-aminophenyl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-methylpropanamide
CID 80555214
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 62095264
2-(5-amino-2-pyridinyl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)acetamide
CID 107338507
1-cyano-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)cyclopropane-1-carboxamide
CID 80598023
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 38493203
2-(5-amino-2-oxo-1-pyridinyl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)acetamide
CID 62816537
N-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)acetamide
CID 930096
1-(4-aminophenyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide
CID 115913567
3-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)oxolane-3-carboxamide
CID 64893407
5-amino-2-methyl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)benzamide
CID 120619567
1-(4-ethoxyphenyl)-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)cyclopropane-1-carboxamide
CID 166221855

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-aminophenyl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)cyclopropane-1-carboxamide (CID 115913571) is 1-(4-aminophenyl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-aminophenyl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-aminophenyl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)cyclopropane-1-carboxamide is Nc1ccc(C2(C(=O)Nc3nc4c(s3)CCC4)CC2)cc1.
What is the InChIKey of 1-(4-aminophenyl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)cyclopropane-1-carboxamide?
The InChIKey is ZBJPHIWQTNCACM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3OS/c17-11-6-4-10(5-7-11)16(8-9-16)14(20)19-15-18-12-2-1-3-13(12)21-15/h4-7H,1-3,8-9,17H2,(H,18,19,20).
What are the key properties of 1-(4-aminophenyl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)cyclopropane-1-carboxamide?
1-(4-aminophenyl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)cyclopropane-1-carboxamide has a molecular weight of 299.40 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 115913571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).