trans-(1S,2S)-2-(2-chlorophenyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide

C18H14ClN3OS — CID 40973916

IUPACtrans-(1S,2S)-2-(2-chlorophenyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide
SMILESO=C(Nc1nc(-c2cccnc2)cs1)[C@H]1C[C@@H]1c1ccccc1Cl
InChIInChI=1S/C18H14ClN3OS/c19-15-6-2-1-5-12(15)13-8-14(13)17(23)22-18-21-16(10-24-18)11-4-3-7-20-9-11/h1-7,9-10,13-14H,8H2,(H,21,22,23)/t13-,14+/m1/s1
InChIKeyFVYWHNMZQUCIEI-KGLIPLIRSA-N
MW355.85 g/mol
LogP4.60
Rot. Bonds4

About trans-(1S,2S)-2-(2-chlorophenyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide

trans-(1S,2S)-2-(2-chlorophenyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide (PubChem CID 40973916) has the molecular formula C18H14ClN3OS and a molecular weight of 355.85 g/mol. Its IUPAC name is trans-(1S,2S)-2-(2-chlorophenyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(2-chlorophenyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide
PubChem CID40973916
Molecular FormulaC18H14ClN3OS
Molecular Weight355.85 g/mol
Exact Mass355.05
IUPAC Nametrans-(1S,2S)-2-(2-chlorophenyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide
SMILESO=C(Nc1nc(-c2cccnc2)cs1)[C@H]1C[C@@H]1c1ccccc1Cl
InChIInChI=1S/C18H14ClN3OS/c19-15-6-2-1-5-12(15)13-8-14(13)17(23)22-18-21-16(10-24-18)11-4-3-7-20-9-11/h1-7,9-10,13-14H,8H2,(H,21,22,23)/t13-,14+/m1/s1
InChIKeyFVYWHNMZQUCIEI-KGLIPLIRSA-N
XLogP4.60
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.85
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-2-(2-chlorophenyl)cyclopropane-1-carboxamide
CID 134009902
N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 134009889
(3S)-1-(2-chlorophenyl)-5-oxo-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 25329053
2-(2-chlorophenyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
CID 55477948
6-chloro-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 17476770
N-(2-chlorophenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 1092464
1-(benzenesulfonyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 26203036
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-phenylcyclopropane-1-carboxamide
CID 5015586
2,4-dichloro-5-fluoro-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
CID 18277166
(3S)-1-oxo-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-3,4-dihydroisochromene-3-carboxamide
CID 51970229
1-(furan-2-carbonyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 17481227
6-methyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 18151055

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(2-chlorophenyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-2-(2-chlorophenyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide (CID 40973916) is trans-(1S,2S)-2-(2-chlorophenyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-2-(2-chlorophenyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-2-(2-chlorophenyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide is O=C(Nc1nc(-c2cccnc2)cs1)[C@H]1C[C@@H]1c1ccccc1Cl.
What is the InChIKey of trans-(1S,2S)-2-(2-chlorophenyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide?
The InChIKey is FVYWHNMZQUCIEI-KGLIPLIRSA-N. The full InChI is InChI=1S/C18H14ClN3OS/c19-15-6-2-1-5-12(15)13-8-14(13)17(23)22-18-21-16(10-24-18)11-4-3-7-20-9-11/h1-7,9-10,13-14H,8H2,(H,21,22,23)/t13-,14+/m1/s1.
What are the key properties of trans-(1S,2S)-2-(2-chlorophenyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide?
trans-(1S,2S)-2-(2-chlorophenyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide has a molecular weight of 355.85 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-(2-chlorophenyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 40973916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).