trans-(1R,2R)-N-(4-phenyl-1,3-thiazol-5-yl)-2-pyridin-3-ylcyclopropane-1-carboxamide

C18H15N3OS — CID 119050510

IUPACtrans-(1R,2R)-N-(4-phenyl-1,3-thiazol-5-yl)-2-pyridin-3-ylcyclopropane-1-carboxamide
SMILESO=C(Nc1scnc1-c1ccccc1)[C@@H]1C[C@H]1c1cccnc1
InChIInChI=1S/C18H15N3OS/c22-17(15-9-14(15)13-7-4-8-19-10-13)21-18-16(20-11-23-18)12-5-2-1-3-6-12/h1-8,10-11,14-15H,9H2,(H,21,22)/t14-,15+/m0/s1
InChIKeyHMBLEDKMVCQICA-LSDHHAIUSA-N
MW321.41 g/mol
LogP3.95
Rot. Bonds4

About trans-(1R,2R)-N-(4-phenyl-1,3-thiazol-5-yl)-2-pyridin-3-ylcyclopropane-1-carboxamide

trans-(1R,2R)-N-(4-phenyl-1,3-thiazol-5-yl)-2-pyridin-3-ylcyclopropane-1-carboxamide (PubChem CID 119050510) has the molecular formula C18H15N3OS and a molecular weight of 321.41 g/mol. Its IUPAC name is trans-(1R,2R)-N-(4-phenyl-1,3-thiazol-5-yl)-2-pyridin-3-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-(4-phenyl-1,3-thiazol-5-yl)-2-pyridin-3-ylcyclopropane-1-carboxamide
PubChem CID119050510
Molecular FormulaC18H15N3OS
Molecular Weight321.41 g/mol
Exact Mass321.09
IUPAC Nametrans-(1R,2R)-N-(4-phenyl-1,3-thiazol-5-yl)-2-pyridin-3-ylcyclopropane-1-carboxamide
SMILESO=C(Nc1scnc1-c1ccccc1)[C@@H]1C[C@H]1c1cccnc1
InChIInChI=1S/C18H15N3OS/c22-17(15-9-14(15)13-7-4-8-19-10-13)21-18-16(20-11-23-18)12-5-2-1-3-6-12/h1-8,10-11,14-15H,9H2,(H,21,22)/t14-,15+/m0/s1
InChIKeyHMBLEDKMVCQICA-LSDHHAIUSA-N
XLogP3.95
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze trans-(1R,2R)-N-(4-phenyl-1,3-thiazol-5-yl)-2-pyridin-3-ylcyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cis-(1S,2R)-N-(1-anilino-2-methyl-1-oxopropan-2-yl)-2-pyridin-3-ylcyclopropane-1-carboxamide
CID 95616875
N-[5-(benzenesulfonyl)-2-pyridinyl]-2-pyridin-3-ylcyclopropane-1-carboxamide
CID 123896535
cis-(1R,2S)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-2-pyridin-3-ylcyclopropane-1-carboxamide
CID 97222508
(2S)-2-pyridin-3-yl-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide
CID 58363515
N-(4-phenyl-1,3-thiazol-5-yl)bicyclo[3.1.0]hexane-6-carboxamide
CID 71862202
1-[(1S,2S)-2-pyridin-3-ylcyclopropyl]propan-1-one
CID 138715755
trans-methyl (1R,2R)-2-pyridin-3-ylcyclopropane-1-carboxylate
CID 118994202
(1R)-N-(1,2-benzothiazol-6-yl)-2-pyridin-3-ylcyclopropane-1-carboxamide
CID 139505454
N-[4-[(6-methyl-3-pyridinyl)sulfonyl]phenyl]-2-pyridin-3-ylcyclopropane-1-carboxamide
CID 123586966
trans-(1S,2S)-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]-2-pyridin-3-ylcyclopropane-1-carboxamide
CID 99789608
cis-(1S,2R)-N-(1-methylpyrazolo[3,4-b]pyridin-4-yl)-2-pyridin-3-ylcyclopropane-1-carboxamide
CID 124742862
cis-(1R,2S)-N-[2-(2-methylphenyl)pyrazol-3-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide
CID 96539720

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-(4-phenyl-1,3-thiazol-5-yl)-2-pyridin-3-ylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-(4-phenyl-1,3-thiazol-5-yl)-2-pyridin-3-ylcyclopropane-1-carboxamide (CID 119050510) is trans-(1R,2R)-N-(4-phenyl-1,3-thiazol-5-yl)-2-pyridin-3-ylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-(4-phenyl-1,3-thiazol-5-yl)-2-pyridin-3-ylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-(4-phenyl-1,3-thiazol-5-yl)-2-pyridin-3-ylcyclopropane-1-carboxamide is O=C(Nc1scnc1-c1ccccc1)[C@@H]1C[C@H]1c1cccnc1.
What is the InChIKey of trans-(1R,2R)-N-(4-phenyl-1,3-thiazol-5-yl)-2-pyridin-3-ylcyclopropane-1-carboxamide?
The InChIKey is HMBLEDKMVCQICA-LSDHHAIUSA-N. The full InChI is InChI=1S/C18H15N3OS/c22-17(15-9-14(15)13-7-4-8-19-10-13)21-18-16(20-11-23-18)12-5-2-1-3-6-12/h1-8,10-11,14-15H,9H2,(H,21,22)/t14-,15+/m0/s1.
What are the key properties of trans-(1R,2R)-N-(4-phenyl-1,3-thiazol-5-yl)-2-pyridin-3-ylcyclopropane-1-carboxamide?
trans-(1R,2R)-N-(4-phenyl-1,3-thiazol-5-yl)-2-pyridin-3-ylcyclopropane-1-carboxamide has a molecular weight of 321.41 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-(4-phenyl-1,3-thiazol-5-yl)-2-pyridin-3-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 119050510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).