N-(2-amino-1-cyclopropylethyl)-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide

C15H16FN3OS — CID 119617053

IUPACN-(2-amino-1-cyclopropylethyl)-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide
SMILESNCC(NC(=O)c1csc(-c2ccccc2F)n1)C1CC1
InChIInChI=1S/C15H16FN3OS/c16-11-4-2-1-3-10(11)15-19-13(8-21-15)14(20)18-12(7-17)9-5-6-9/h1-4,8-9,12H,5-7,17H2,(H,18,20)
InChIKeyOERPNASBHJKDIT-UHFFFAOYSA-N
MW305.38 g/mol
LogP2.42
Rot. Bonds5

About N-(2-amino-1-cyclopropylethyl)-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide

N-(2-amino-1-cyclopropylethyl)-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide (PubChem CID 119617053) has the molecular formula C15H16FN3OS and a molecular weight of 305.38 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide
PubChem CID119617053
Molecular FormulaC15H16FN3OS
Molecular Weight305.38 g/mol
Exact Mass305.10
IUPAC NameN-(2-amino-1-cyclopropylethyl)-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide
SMILESNCC(NC(=O)c1csc(-c2ccccc2F)n1)C1CC1
InChIInChI=1S/C15H16FN3OS/c16-11-4-2-1-3-10(11)15-19-13(8-21-15)14(20)18-12(7-17)9-5-6-9/h1-4,8-9,12H,5-7,17H2,(H,18,20)
InChIKeyOERPNASBHJKDIT-UHFFFAOYSA-N
XLogP2.42
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-1-cyclopropylethyl)-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide
CID 119616438
N-(2-amino-1-cyclopropylethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 119616726
N-(2-amino-1-cyclopropylethyl)-2-benzyl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119613700
N-(2-amino-1-cyclopropylethyl)-2-fluorobenzamide
CID 65188796
(3S)-3-[[2-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]amino]-3-phenylpropanoic acid
CID 71239923
N-(2-amino-1-cyclopropylethyl)pyridine-2-carboxamide;dihydrochloride
CID 119617299
N-(2-amino-1-cyclopropylethyl)-5-(2-fluorophenyl)furan-2-carboxamide;hydrochloride
CID 119613475
N-(2-amino-1-cyclohexylethyl)-2-(aminomethyl)-1,3-thiazole-4-carboxamide
CID 122080623
N-[1-(aminomethyl)cyclopentyl]-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 119567922
N-ethoxy-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 47078287
2-(2-fluorophenyl)-N-[2-(methylamino)propyl]-1,3-thiazole-4-carboxamide
CID 120826543
N-(1-amino-2-methylpropan-2-yl)-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119524567

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide (CID 119617053) is N-(2-amino-1-cyclopropylethyl)-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide is NCC(NC(=O)c1csc(-c2ccccc2F)n1)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is OERPNASBHJKDIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3OS/c16-11-4-2-1-3-10(11)15-19-13(8-21-15)14(20)18-12(7-17)9-5-6-9/h1-4,8-9,12H,5-7,17H2,(H,18,20).
What are the key properties of N-(2-amino-1-cyclopropylethyl)-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide?
N-(2-amino-1-cyclopropylethyl)-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 305.38 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 119617053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).