N-[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide

C17H13FN4OS — CID 97077939

IUPACN-[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide
SMILESO=C(N[C@H]1C[C@@H]1c1ccc(F)cc1)c1csc(-c2cnccn2)n1
InChIInChI=1S/C17H13FN4OS/c18-11-3-1-10(2-4-11)12-7-13(12)21-16(23)15-9-24-17(22-15)14-8-19-5-6-20-14/h1-6,8-9,12-13H,7H2,(H,21,23)/t12-,13+/m1/s1
InChIKeyHUDQNSRJCXZAMT-OLZOCXBDSA-N
MW340.38 g/mol
LogP3.03
Rot. Bonds4

About N-[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide

N-[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 97077939) has the molecular formula C17H13FN4OS and a molecular weight of 340.38 g/mol. Its IUPAC name is N-[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide
PubChem CID97077939
Molecular FormulaC17H13FN4OS
Molecular Weight340.38 g/mol
Exact Mass340.08
IUPAC NameN-[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide
SMILESO=C(N[C@H]1C[C@@H]1c1ccc(F)cc1)c1csc(-c2cnccn2)n1
InChIInChI=1S/C17H13FN4OS/c18-11-3-1-10(2-4-11)12-7-13(12)21-16(23)15-9-24-17(22-15)14-8-19-5-6-20-14/h1-6,8-9,12-13H,7H2,(H,21,23)/t12-,13+/m1/s1
InChIKeyHUDQNSRJCXZAMT-OLZOCXBDSA-N
XLogP3.03
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]-2-(2-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 94828868
2-pyrazin-2-yl-N-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 100617019
N-(2-thiophen-2-ylcyclopropyl)pyrazine-2-carboxamide
CID 110741726
1-[(2-pyrazin-2-yl-1,3-thiazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 119350659
N-[(2-methoxyphenyl)methyl]-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide
CID 6734087
(2R)-3-methyl-2-[(2-pyrazin-2-yl-1,3-thiazole-4-carbonyl)amino]butanoic acid
CID 119369567
N-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-2-(3-nitrophenyl)-1,3-thiazole-4-carboxamide
CID 97011678
4-[(2-pyrazin-2-yl-1,3-thiazole-4-carbonyl)amino]pentanoic acid
CID 120534939
N-cyclopropyl-2-pyridin-2-yl-1,3-thiazole-4-carboxamide
CID 110647283
N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyrazolo[5,4-b]pyridine-6-carboxamide
CID 138810938
4-ethyl-1-[(2-pyrazin-2-yl-1,3-thiazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 120530164
N-(3-piperazin-1-ylpropyl)-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119392029

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide (CID 97077939) is N-[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide is O=C(N[C@H]1C[C@@H]1c1ccc(F)cc1)c1csc(-c2cnccn2)n1.
What is the InChIKey of N-[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is HUDQNSRJCXZAMT-OLZOCXBDSA-N. The full InChI is InChI=1S/C17H13FN4OS/c18-11-3-1-10(2-4-11)12-7-13(12)21-16(23)15-9-24-17(22-15)14-8-19-5-6-20-14/h1-6,8-9,12-13H,7H2,(H,21,23)/t12-,13+/m1/s1.
What are the key properties of N-[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide?
N-[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 340.38 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 97077939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).