2-amino-N-[(1-pyridin-2-ylcyclopropyl)methyl]-1,3-thiazole-4-carboxamide

C13H14N4OS — CID 110483352

IUPAC2-amino-N-[(1-pyridin-2-ylcyclopropyl)methyl]-1,3-thiazole-4-carboxamide
SMILESNc1nc(C(=O)NCC2(c3ccccn3)CC2)cs1
InChIInChI=1S/C13H14N4OS/c14-12-17-9(7-19-12)11(18)16-8-13(4-5-13)10-3-1-2-6-15-10/h1-3,6-7H,4-5,8H2,(H2,14,17)(H,16,18)
InChIKeyJNPLHMVIMOFOGS-UHFFFAOYSA-N
MW274.35 g/mol
LogP1.58
Rot. Bonds4

About 2-amino-N-[(1-pyridin-2-ylcyclopropyl)methyl]-1,3-thiazole-4-carboxamide

2-amino-N-[(1-pyridin-2-ylcyclopropyl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 110483352) has the molecular formula C13H14N4OS and a molecular weight of 274.35 g/mol. Its IUPAC name is 2-amino-N-[(1-pyridin-2-ylcyclopropyl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(1-pyridin-2-ylcyclopropyl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID110483352
Molecular FormulaC13H14N4OS
Molecular Weight274.35 g/mol
Exact Mass274.09
IUPAC Name2-amino-N-[(1-pyridin-2-ylcyclopropyl)methyl]-1,3-thiazole-4-carboxamide
SMILESNc1nc(C(=O)NCC2(c3ccccn3)CC2)cs1
InChIInChI=1S/C13H14N4OS/c14-12-17-9(7-19-12)11(18)16-8-13(4-5-13)10-3-1-2-6-15-10/h1-3,6-7H,4-5,8H2,(H2,14,17)(H,16,18)
InChIKeyJNPLHMVIMOFOGS-UHFFFAOYSA-N
XLogP1.58
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[(1-hydroxycyclopentyl)methyl]-1,3-thiazole-4-carboxamide
CID 65106580
N-[(1-pyridin-2-ylcyclopropyl)methyl]-2-thiophen-2-ylacetamide
CID 110483280
5-methyl-N-[(1-pyridin-2-ylcyclopropyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 86815537
4-amino-N-[(1-pyridin-2-ylcyclopropyl)methyl]butanamide
CID 110479887
4-[[(2-amino-1,3-thiazole-4-carbonyl)amino]methyl]oxane-4-carboxylic acid
CID 115439957
N-[[1-(2-fluorophenyl)cyclopropyl]methyl]pyridine-2-carboxamide
CID 110481986
1,1-dimethyl-3-[(1-pyridin-2-ylcyclopentyl)methyl]urea
CID 110478720
6-amino-N-[(1-pyridin-2-ylcyclopropyl)methyl]hexanamide
CID 110482606
2-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-1,3-thiazole-4-carboxamide
CID 65120198
2-(aminomethyl)-N-[[1-(2-methylphenyl)cyclopropyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119770275
N-[(1-pyridin-2-ylcyclopropyl)methyl]-2,3-dihydro-1H-indene-4-carboxamide
CID 126807843
2-amino-N-(2-phenylpropyl)-1,3-thiazole-4-carboxamide
CID 62789147

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1-pyridin-2-ylcyclopropyl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-amino-N-[(1-pyridin-2-ylcyclopropyl)methyl]-1,3-thiazole-4-carboxamide (CID 110483352) is 2-amino-N-[(1-pyridin-2-ylcyclopropyl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-amino-N-[(1-pyridin-2-ylcyclopropyl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-amino-N-[(1-pyridin-2-ylcyclopropyl)methyl]-1,3-thiazole-4-carboxamide is Nc1nc(C(=O)NCC2(c3ccccn3)CC2)cs1.
What is the InChIKey of 2-amino-N-[(1-pyridin-2-ylcyclopropyl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is JNPLHMVIMOFOGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4OS/c14-12-17-9(7-19-12)11(18)16-8-13(4-5-13)10-3-1-2-6-15-10/h1-3,6-7H,4-5,8H2,(H2,14,17)(H,16,18).
What are the key properties of 2-amino-N-[(1-pyridin-2-ylcyclopropyl)methyl]-1,3-thiazole-4-carboxamide?
2-amino-N-[(1-pyridin-2-ylcyclopropyl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 274.35 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1-pyridin-2-ylcyclopropyl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 110483352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).