2-(aminomethyl)-N-cyclopropyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide

C14H16N4OS — CID 66375904

IUPAC2-(aminomethyl)-N-cyclopropyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESNCc1nc(C(=O)N(Cc2cccnc2)C2CC2)cs1
InChIInChI=1S/C14H16N4OS/c15-6-13-17-12(9-20-13)14(19)18(11-3-4-11)8-10-2-1-5-16-7-10/h1-2,5,7,9,11H,3-4,6,8,15H2
InChIKeyJVWOHKCSQIUFKQ-UHFFFAOYSA-N
MW288.38 g/mol
LogP1.80
Rot. Bonds5

About 2-(aminomethyl)-N-cyclopropyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide

2-(aminomethyl)-N-cyclopropyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide (PubChem CID 66375904) has the molecular formula C14H16N4OS and a molecular weight of 288.38 g/mol. Its IUPAC name is 2-(aminomethyl)-N-cyclopropyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-cyclopropyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
PubChem CID66375904
Molecular FormulaC14H16N4OS
Molecular Weight288.38 g/mol
Exact Mass288.10
IUPAC Name2-(aminomethyl)-N-cyclopropyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESNCc1nc(C(=O)N(Cc2cccnc2)C2CC2)cs1
InChIInChI=1S/C14H16N4OS/c15-6-13-17-12(9-20-13)14(19)18(11-3-4-11)8-10-2-1-5-16-7-10/h1-2,5,7,9,11H,3-4,6,8,15H2
InChIKeyJVWOHKCSQIUFKQ-UHFFFAOYSA-N
XLogP1.80
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(aminomethyl)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 66375709
2-(aminomethyl)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119691625
2-(aminomethyl)-N-cyclopropyl-N-(2-hydroxyethyl)-1,3-thiazole-4-carboxamide
CID 66376261
2-(aminomethyl)-N-[(2-chlorophenyl)methyl]-N-cyclopentyl-1,3-thiazole-4-carboxamide
CID 100645896
2-(aminomethyl)-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 119715290
N-cyclopropyl-2-(2-phenyl-1,3-thiazol-4-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 51207321
4-amino-N-cyclopropyl-N-(pyridin-3-ylmethyl)butanamide
CID 54869888
N-cyclopropyl-3-fluoro-N-(pyridin-3-ylmethyl)benzamide
CID 110753074
2-(1-aminoethyl)-N-cyclopropyl-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide
CID 66388889
4-amino-N-cyclopropyl-3-fluoro-N-(pyridin-3-ylmethyl)benzamide
CID 62680434
2-(2-aminoethyl)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120618568
2,4-diamino-N-cyclopropyl-N-(pyridin-3-ylmethyl)benzamide
CID 61139944

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-cyclopropyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-cyclopropyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide (CID 66375904) is 2-(aminomethyl)-N-cyclopropyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-cyclopropyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-cyclopropyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide is NCc1nc(C(=O)N(Cc2cccnc2)C2CC2)cs1.
What is the InChIKey of 2-(aminomethyl)-N-cyclopropyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is JVWOHKCSQIUFKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4OS/c15-6-13-17-12(9-20-13)14(19)18(11-3-4-11)8-10-2-1-5-16-7-10/h1-2,5,7,9,11H,3-4,6,8,15H2.
What are the key properties of 2-(aminomethyl)-N-cyclopropyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide?
2-(aminomethyl)-N-cyclopropyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 288.38 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-cyclopropyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 66375904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).