2-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide

C13H13N3OS — CID 4883785

IUPAC2-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide
SMILESCC1CC1C(=O)Nc1nc(-c2ccccn2)cs1
InChIInChI=1S/C13H13N3OS/c1-8-6-9(8)12(17)16-13-15-11(7-18-13)10-4-2-3-5-14-10/h2-5,7-9H,6H2,1H3,(H,15,16,17)
InChIKeyIMNYEUIAFHLLFV-UHFFFAOYSA-N
MW259.33 g/mol
LogP2.80
Rot. Bonds3

About 2-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide

2-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide (PubChem CID 4883785) has the molecular formula C13H13N3OS and a molecular weight of 259.33 g/mol. Its IUPAC name is 2-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide
PubChem CID4883785
Molecular FormulaC13H13N3OS
Molecular Weight259.33 g/mol
Exact Mass259.08
IUPAC Name2-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide
SMILESCC1CC1C(=O)Nc1nc(-c2ccccn2)cs1
InChIInChI=1S/C13H13N3OS/c1-8-6-9(8)12(17)16-13-15-11(7-18-13)10-4-2-3-5-14-10/h2-5,7-9H,6H2,1H3,(H,15,16,17)
InChIKeyIMNYEUIAFHLLFV-UHFFFAOYSA-N
XLogP2.80
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-Pyridinecarboxamide, N-(4-phenyl-2-thiazolyl)-
CID 203433
4-(Pyridin-2-yl)-1,3-thiazol-2-amine
CID 1092459
N-(5-Isopropyl-thiazol-2-YL)-2-pyridin-3-YL-acetamide
CID 5327096
N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 790259
Acetamide, N-[4-[2-(2-pyridinylamino)-4-thiazolyl]phenyl]-
CID 973066
N-(4-Pyridin-2-yl-thiazol-2-yl)-benzamide
CID 4119262
2-(2-((6-methylpyridin-2-yl)amino)thiazol-4-yl)-N-(5-methylthiazol-2-yl)acetamide
CID 49677967
N-(5-pyridin-3-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
CID 46872297
N-(4-methyl-1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 1204786
N-(5-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide
CID 2463754
(E)-3-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)prop-2-enamide
CID 5829079
N-(4-methylpyridin-2-yl)-4-(pyridin-2-yl)thiazol-2-amine
CID 704452

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide?
The IUPAC name of 2-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide (CID 4883785) is 2-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 2-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide is CC1CC1C(=O)Nc1nc(-c2ccccn2)cs1.
What is the InChIKey of 2-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide?
The InChIKey is IMNYEUIAFHLLFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3OS/c1-8-6-9(8)12(17)16-13-15-11(7-18-13)10-4-2-3-5-14-10/h2-5,7-9H,6H2,1H3,(H,15,16,17).
What are the key properties of 2-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide?
2-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide has a molecular weight of 259.33 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 4883785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).