1-(4-aminophenyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide

C16H17N3OS — CID 115913567

IUPAC1-(4-aminophenyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide
SMILESNc1ccc(C2(C(=O)Nc3nc(C4CC4)cs3)CC2)cc1
InChIInChI=1S/C16H17N3OS/c17-12-5-3-11(4-6-12)16(7-8-16)14(20)19-15-18-13(9-21-15)10-1-2-10/h3-6,9-10H,1-2,7-8,17H2,(H,18,19,20)
InChIKeyHAEMEZIUQRZJHX-UHFFFAOYSA-N
MW299.40 g/mol
LogP3.27
Rot. Bonds4

About 1-(4-aminophenyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide

1-(4-aminophenyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide (PubChem CID 115913567) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is 1-(4-aminophenyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-aminophenyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide
PubChem CID115913567
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC Name1-(4-aminophenyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide
SMILESNc1ccc(C2(C(=O)Nc3nc(C4CC4)cs3)CC2)cc1
InChIInChI=1S/C16H17N3OS/c17-12-5-3-11(4-6-12)16(7-8-16)14(20)19-15-18-13(9-21-15)10-1-2-10/h3-6,9-10H,1-2,7-8,17H2,(H,18,19,20)
InChIKeyHAEMEZIUQRZJHX-UHFFFAOYSA-N
XLogP3.27
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-aminophenyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide (CID 115913567) is 1-(4-aminophenyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-aminophenyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-aminophenyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide is Nc1ccc(C2(C(=O)Nc3nc(C4CC4)cs3)CC2)cc1.
What is the InChIKey of 1-(4-aminophenyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide?
The InChIKey is HAEMEZIUQRZJHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3OS/c17-12-5-3-11(4-6-12)16(7-8-16)14(20)19-15-18-13(9-21-15)10-1-2-10/h3-6,9-10H,1-2,7-8,17H2,(H,18,19,20).
What are the key properties of 1-(4-aminophenyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide?
1-(4-aminophenyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide has a molecular weight of 299.40 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 115913567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).