2-amino-N-cyclopropyl-5-phenyl-1,3-thiazole-4-carboxamide

C13H13N3OS — CID 155963732

IUPAC2-amino-N-cyclopropyl-5-phenyl-1,3-thiazole-4-carboxamide
SMILESNc1nc(C(=O)NC2CC2)c(-c2ccccc2)s1
InChIInChI=1S/C13H13N3OS/c14-13-16-10(12(17)15-9-6-7-9)11(18-13)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H2,14,16)(H,15,17)
InChIKeyDSXKPDYSGPHURD-UHFFFAOYSA-N
MW259.33 g/mol
LogP2.28
Rot. Bonds3

About 2-amino-N-cyclopropyl-5-phenyl-1,3-thiazole-4-carboxamide

2-amino-N-cyclopropyl-5-phenyl-1,3-thiazole-4-carboxamide (PubChem CID 155963732) has the molecular formula C13H13N3OS and a molecular weight of 259.33 g/mol. Its IUPAC name is 2-amino-N-cyclopropyl-5-phenyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-cyclopropyl-5-phenyl-1,3-thiazole-4-carboxamide
PubChem CID155963732
Molecular FormulaC13H13N3OS
Molecular Weight259.33 g/mol
Exact Mass259.08
IUPAC Name2-amino-N-cyclopropyl-5-phenyl-1,3-thiazole-4-carboxamide
SMILESNc1nc(C(=O)NC2CC2)c(-c2ccccc2)s1
InChIInChI=1S/C13H13N3OS/c14-13-16-10(12(17)15-9-6-7-9)11(18-13)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H2,14,16)(H,15,17)
InChIKeyDSXKPDYSGPHURD-UHFFFAOYSA-N
XLogP2.28
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(10-hydroxyspiro[4.5]decan-7-yl)-5-phenyl-1,3-thiazole-4-carboxamide
CID 166393836
N-cyclopentyl-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide
CID 110647439
(2-amino-5-phenyl-1,3-thiazol-4-yl)-[(1R,5S)-3-azabicyclo[3.2.0]heptan-3-yl]methanone
CID 155961272
2-amino-N-cyclooctyl-4-phenyl-1,3-thiazole-5-carboxamide
CID 39071425
2-amino-5-(4-fluorophenyl)-1,3-thiazole-4-carbohydrazide
CID 2783009
N-(4-aminocyclohexyl)-2,4-diphenyl-1,3-thiazole-5-carboxamide
CID 119477493
2-amino-N-(1-benzylpiperidin-4-yl)-4-phenyl-1,3-thiazole-5-carboxamide
CID 39115704
2-amino-N-cyclopropyl-N-[2-(2,3-dihydro-1,4-benzodioxine-5-carbonylamino)ethyl]-5-phenyl-1,3-thiazole-4-carboxamide
CID 87404497
2-(2-amino-5-phenyl-1,3-thiazol-4-yl)acetic acid;hydrobromide
CID 175338696
N-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-3-phenylbenzamide
CID 110867733
2-amino-N-cyclohexylquinazoline-4-carboxamide
CID 24749596
(2-amino-5-phenyl-1,3-thiazol-4-yl)methanol
CID 133061184

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-cyclopropyl-5-phenyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-amino-N-cyclopropyl-5-phenyl-1,3-thiazole-4-carboxamide (CID 155963732) is 2-amino-N-cyclopropyl-5-phenyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-amino-N-cyclopropyl-5-phenyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-amino-N-cyclopropyl-5-phenyl-1,3-thiazole-4-carboxamide is Nc1nc(C(=O)NC2CC2)c(-c2ccccc2)s1.
What is the InChIKey of 2-amino-N-cyclopropyl-5-phenyl-1,3-thiazole-4-carboxamide?
The InChIKey is DSXKPDYSGPHURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3OS/c14-13-16-10(12(17)15-9-6-7-9)11(18-13)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H2,14,16)(H,15,17).
What are the key properties of 2-amino-N-cyclopropyl-5-phenyl-1,3-thiazole-4-carboxamide?
2-amino-N-cyclopropyl-5-phenyl-1,3-thiazole-4-carboxamide has a molecular weight of 259.33 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-cyclopropyl-5-phenyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 155963732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).