cis-(1R,2S)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-2-pyridin-3-ylcyclopropane-1-carboxamide

C20H19N3OS — CID 97222508

IUPACcis-(1R,2S)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-2-pyridin-3-ylcyclopropane-1-carboxamide
SMILESO=C(NCCc1csc(-c2ccccc2)n1)[C@@H]1C[C@@H]1c1cccnc1
InChIInChI=1S/C20H19N3OS/c24-19(18-11-17(18)15-7-4-9-21-12-15)22-10-8-16-13-25-20(23-16)14-5-2-1-3-6-14/h1-7,9,12-13,17-18H,8,10-11H2,(H,22,24)/t17-,18-/m1/s1
InChIKeyHITMEXKNZVTDSL-QZTJIDSGSA-N
MW349.46 g/mol
LogP3.67
Rot. Bonds6

About cis-(1R,2S)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-2-pyridin-3-ylcyclopropane-1-carboxamide

cis-(1R,2S)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-2-pyridin-3-ylcyclopropane-1-carboxamide (PubChem CID 97222508) has the molecular formula C20H19N3OS and a molecular weight of 349.46 g/mol. Its IUPAC name is cis-(1R,2S)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-2-pyridin-3-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-2-pyridin-3-ylcyclopropane-1-carboxamide
PubChem CID97222508
Molecular FormulaC20H19N3OS
Molecular Weight349.46 g/mol
Exact Mass349.12
IUPAC Namecis-(1R,2S)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-2-pyridin-3-ylcyclopropane-1-carboxamide
SMILESO=C(NCCc1csc(-c2ccccc2)n1)[C@@H]1C[C@@H]1c1cccnc1
InChIInChI=1S/C20H19N3OS/c24-19(18-11-17(18)15-7-4-9-21-12-15)22-10-8-16-13-25-20(23-16)14-5-2-1-3-6-14/h1-7,9,12-13,17-18H,8,10-11H2,(H,22,24)/t17-,18-/m1/s1
InChIKeyHITMEXKNZVTDSL-QZTJIDSGSA-N
XLogP3.67
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze cis-(1R,2S)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-2-pyridin-3-ylcyclopropane-1-carboxamide with MolForge

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Related Compounds

trans-(1R,2R)-2-(furan-2-yl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]cyclopropane-1-carboxamide
CID 97030333
(2R,5R)-5-phenyl-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide
CID 155493540
trans-(1S,2S)-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]-2-pyridin-3-ylcyclopropane-1-carboxamide
CID 99789608
(1S,6S)-6-[2-(2-phenyl-1,3-thiazol-4-yl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylate
CID 7119142
cis-(1S,2R)-2-[(2-phenyl-1,3-thiazol-4-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 124886534
trans-(1S,2S)-2-[(2-phenyl-1,3-thiazol-4-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 124886542
trans-(1R,2R)-2-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 97323969
(3R)-1,1-dioxo-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]thiolane-3-carboxamide
CID 125165412
N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]furan-2-carboxamide
CID 5310118
N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
CID 17164666
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide
CID 119266960
3-phenoxy-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]propanamide
CID 112500659

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-2-pyridin-3-ylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-2-pyridin-3-ylcyclopropane-1-carboxamide (CID 97222508) is cis-(1R,2S)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-2-pyridin-3-ylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-2-pyridin-3-ylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-2-pyridin-3-ylcyclopropane-1-carboxamide is O=C(NCCc1csc(-c2ccccc2)n1)[C@@H]1C[C@@H]1c1cccnc1.
What is the InChIKey of cis-(1R,2S)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-2-pyridin-3-ylcyclopropane-1-carboxamide?
The InChIKey is HITMEXKNZVTDSL-QZTJIDSGSA-N. The full InChI is InChI=1S/C20H19N3OS/c24-19(18-11-17(18)15-7-4-9-21-12-15)22-10-8-16-13-25-20(23-16)14-5-2-1-3-6-14/h1-7,9,12-13,17-18H,8,10-11H2,(H,22,24)/t17-,18-/m1/s1.
What are the key properties of cis-(1R,2S)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-2-pyridin-3-ylcyclopropane-1-carboxamide?
cis-(1R,2S)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-2-pyridin-3-ylcyclopropane-1-carboxamide has a molecular weight of 349.46 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-2-pyridin-3-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 97222508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).