N-[(6-cyclopropyl-3-pyridinyl)methyl]-1,3-thiazole-4-carboxamide

C13H13N3OS — CID 134160703

IUPACN-[(6-cyclopropyl-3-pyridinyl)methyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1ccc(C2CC2)nc1)c1cscn1
InChIInChI=1S/C13H13N3OS/c17-13(12-7-18-8-16-12)15-6-9-1-4-11(14-5-9)10-2-3-10/h1,4-5,7-8,10H,2-3,6H2,(H,15,17)
InChIKeyWKKNUYDFLCLTJC-UHFFFAOYSA-N
MW259.33 g/mol
LogP2.35
Rot. Bonds4

About N-[(6-cyclopropyl-3-pyridinyl)methyl]-1,3-thiazole-4-carboxamide

N-[(6-cyclopropyl-3-pyridinyl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 134160703) has the molecular formula C13H13N3OS and a molecular weight of 259.33 g/mol. Its IUPAC name is N-[(6-cyclopropyl-3-pyridinyl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(6-cyclopropyl-3-pyridinyl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID134160703
Molecular FormulaC13H13N3OS
Molecular Weight259.33 g/mol
Exact Mass259.08
IUPAC NameN-[(6-cyclopropyl-3-pyridinyl)methyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1ccc(C2CC2)nc1)c1cscn1
InChIInChI=1S/C13H13N3OS/c17-13(12-7-18-8-16-12)15-6-9-1-4-11(14-5-9)10-2-3-10/h1,4-5,7-8,10H,2-3,6H2,(H,15,17)
InChIKeyWKKNUYDFLCLTJC-UHFFFAOYSA-N
XLogP2.35
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(6-cyclopropyl-3-pyridinyl)methyl]-4-fluorobenzamide
CID 134161068
N-[(4-tert-butylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 110471823
N-[(4-carbamothioylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 63022697
1-acetyl-N-[(6-cyclopropyl-3-pyridinyl)methyl]piperidine-4-carboxamide
CID 134160793
N-[(5-bromothiophen-3-yl)methyl]-1,3-thiazole-4-carboxamide
CID 130948300
N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 63038083
N-[(3-carbamoylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 63049431
N-(2-chloro-2-cyclopropylethyl)-1,3-thiazole-4-carboxamide
CID 114304998
N-[(2-methyl-1,3-oxazol-5-yl)methyl]-1,3-thiazole-4-carboxamide
CID 130899202
N-[(3-chlorocyclopentyl)methyl]-1,3-thiazole-4-carboxamide
CID 106127398
4-[(1,3-thiazole-4-carbonylamino)methyl]cyclohexane-1-carboxylic acid
CID 79526408
N-prop-2-enyl-1,3-thiazole-4-carboxamide
CID 63038406

Frequently Asked Questions

What is the IUPAC name of N-[(6-cyclopropyl-3-pyridinyl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(6-cyclopropyl-3-pyridinyl)methyl]-1,3-thiazole-4-carboxamide (CID 134160703) is N-[(6-cyclopropyl-3-pyridinyl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(6-cyclopropyl-3-pyridinyl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(6-cyclopropyl-3-pyridinyl)methyl]-1,3-thiazole-4-carboxamide is O=C(NCc1ccc(C2CC2)nc1)c1cscn1.
What is the InChIKey of N-[(6-cyclopropyl-3-pyridinyl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is WKKNUYDFLCLTJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3OS/c17-13(12-7-18-8-16-12)15-6-9-1-4-11(14-5-9)10-2-3-10/h1,4-5,7-8,10H,2-3,6H2,(H,15,17).
What are the key properties of N-[(6-cyclopropyl-3-pyridinyl)methyl]-1,3-thiazole-4-carboxamide?
N-[(6-cyclopropyl-3-pyridinyl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 259.33 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-cyclopropyl-3-pyridinyl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 134160703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).