2-amino-N-(3-methyl-1-pyridin-3-ylbutyl)-1,3-thiazole-4-carboxamide

C14H18N4OS — CID 118765879

IUPAC2-amino-N-(3-methyl-1-pyridin-3-ylbutyl)-1,3-thiazole-4-carboxamide
SMILESCC(C)CC(NC(=O)c1csc(N)n1)c1cccnc1
InChIInChI=1S/C14H18N4OS/c1-9(2)6-11(10-4-3-5-16-7-10)17-13(19)12-8-20-14(15)18-12/h3-5,7-9,11H,6H2,1-2H3,(H2,15,18)(H,17,19)
InChIKeyRIYFUTVTADCJEI-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.64
Rot. Bonds5

About 2-amino-N-(3-methyl-1-pyridin-3-ylbutyl)-1,3-thiazole-4-carboxamide

2-amino-N-(3-methyl-1-pyridin-3-ylbutyl)-1,3-thiazole-4-carboxamide (PubChem CID 118765879) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is 2-amino-N-(3-methyl-1-pyridin-3-ylbutyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-(3-methyl-1-pyridin-3-ylbutyl)-1,3-thiazole-4-carboxamide
PubChem CID118765879
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name2-amino-N-(3-methyl-1-pyridin-3-ylbutyl)-1,3-thiazole-4-carboxamide
SMILESCC(C)CC(NC(=O)c1csc(N)n1)c1cccnc1
InChIInChI=1S/C14H18N4OS/c1-9(2)6-11(10-4-3-5-16-7-10)17-13(19)12-8-20-14(15)18-12/h3-5,7-9,11H,6H2,1-2H3,(H2,15,18)(H,17,19)
InChIKeyRIYFUTVTADCJEI-UHFFFAOYSA-N
XLogP2.64
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methyl-1-pyridin-3-ylbutyl)-6-oxo-1H-pyrazine-3-carboxamide
CID 91776352
2-amino-N-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-1,3-thiazole-4-carboxamide
CID 125443480
2-amino-N-[(1R)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-1,3-thiazole-4-carboxamide
CID 125443478
5-ethyl-N-(3-methyl-1-pyridin-3-ylbutyl)-1H-pyrrole-2-carboxamide
CID 118763463
1,2,5-trimethyl-N-(3-methyl-1-pyridin-3-ylbutyl)pyrrole-3-carboxamide
CID 135106046
2-amino-N-(1-hydroxypropan-2-yl)-1,3-thiazole-4-carboxamide
CID 62786815
2-amino-N-[1-(4-bromophenyl)propyl]-1,3-thiazole-4-carboxamide
CID 62787341
2-[(2-amino-1,3-thiazole-4-carbonyl)amino]-2-phenylacetic acid
CID 62787046
2-amino-N-(2-phenylpropyl)-1,3-thiazole-4-carboxamide
CID 62789147
2-amino-N-(1-phenylpropan-2-yl)-1,3-thiazole-4-carboxamide
CID 63010937
(E)-N-[(1S)-3-methyl-1-pyridin-3-ylbutyl]hex-3-enamide
CID 124756065
N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]pyridine-3-carboxamide
CID 84510037

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-methyl-1-pyridin-3-ylbutyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-amino-N-(3-methyl-1-pyridin-3-ylbutyl)-1,3-thiazole-4-carboxamide (CID 118765879) is 2-amino-N-(3-methyl-1-pyridin-3-ylbutyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-amino-N-(3-methyl-1-pyridin-3-ylbutyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-amino-N-(3-methyl-1-pyridin-3-ylbutyl)-1,3-thiazole-4-carboxamide is CC(C)CC(NC(=O)c1csc(N)n1)c1cccnc1.
What is the InChIKey of 2-amino-N-(3-methyl-1-pyridin-3-ylbutyl)-1,3-thiazole-4-carboxamide?
The InChIKey is RIYFUTVTADCJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-9(2)6-11(10-4-3-5-16-7-10)17-13(19)12-8-20-14(15)18-12/h3-5,7-9,11H,6H2,1-2H3,(H2,15,18)(H,17,19).
What are the key properties of 2-amino-N-(3-methyl-1-pyridin-3-ylbutyl)-1,3-thiazole-4-carboxamide?
2-amino-N-(3-methyl-1-pyridin-3-ylbutyl)-1,3-thiazole-4-carboxamide has a molecular weight of 290.39 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-methyl-1-pyridin-3-ylbutyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 118765879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).