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

C16H19N3OS — CID 115913568

IUPAC1-(4-aminophenyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide
SMILESCC(C)c1csc(NC(=O)C2(c3ccc(N)cc3)CC2)n1
InChIInChI=1S/C16H19N3OS/c1-10(2)13-9-21-15(18-13)19-14(20)16(7-8-16)11-3-5-12(17)6-4-11/h3-6,9-10H,7-8,17H2,1-2H3,(H,18,19,20)
InChIKeyUVNQVBVQCFNQKA-UHFFFAOYSA-N
MW301.42 g/mol
LogP3.52
Rot. Bonds4

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

1-(4-aminophenyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide (PubChem CID 115913568) has the molecular formula C16H19N3OS and a molecular weight of 301.42 g/mol. Its IUPAC name is 1-(4-aminophenyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-aminophenyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide
PubChem CID115913568
Molecular FormulaC16H19N3OS
Molecular Weight301.42 g/mol
Exact Mass301.12
IUPAC Name1-(4-aminophenyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide
SMILESCC(C)c1csc(NC(=O)C2(c3ccc(N)cc3)CC2)n1
InChIInChI=1S/C16H19N3OS/c1-10(2)13-9-21-15(18-13)19-14(20)16(7-8-16)11-3-5-12(17)6-4-11/h3-6,9-10H,7-8,17H2,1-2H3,(H,18,19,20)
InChIKeyUVNQVBVQCFNQKA-UHFFFAOYSA-N
XLogP3.52
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 53.52
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-(4-aminophenyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide
CID 115913567
1-(4-bromophenyl)-N-(4-methyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide
CID 36600011
1-(2-fluorophenyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)cyclopentane-1-carboxamide
CID 110439770
4-amino-N-(4-propan-2-yl-1,3-thiazol-2-yl)oxane-4-carboxamide
CID 113280718
1-(4-aminophenyl)-N-(2,6-dimethyl-3-pyridinyl)cyclopropane-1-carboxamide
CID 115913832
1-(4-chlorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)cyclopentane-1-carboxamide
CID 2521715
1-cyano-N-(4-propan-2-yl-1,3-thiazol-2-yl)cyclohexane-1-carboxamide
CID 61461950
(2S)-2-[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 103930588
4-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzene-1,4-diamine
CID 82059189
(2R)-2-amino-N-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide
CID 78973473
1-(4-aminophenyl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)cyclopropane-1-carboxamide
CID 115913571
N-(4-propan-2-yl-1,3-thiazol-2-yl)-4-propylpiperidine-4-carboxamide
CID 63129103

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-aminophenyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide (CID 115913568) is 1-(4-aminophenyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-aminophenyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-aminophenyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide is CC(C)c1csc(NC(=O)C2(c3ccc(N)cc3)CC2)n1.
What is the InChIKey of 1-(4-aminophenyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide?
The InChIKey is UVNQVBVQCFNQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-10(2)13-9-21-15(18-13)19-14(20)16(7-8-16)11-3-5-12(17)6-4-11/h3-6,9-10H,7-8,17H2,1-2H3,(H,18,19,20).
What are the key properties of 1-(4-aminophenyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide?
1-(4-aminophenyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide has a molecular weight of 301.42 g/mol, XLogP of 3.52, 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-propan-2-yl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 115913568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).