2-propan-2-yl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide

C13H15N3OS — CID 110694215

IUPAC2-propan-2-yl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESCC(C)c1nc(C(=O)NCc2cccnc2)cs1
InChIInChI=1S/C13H15N3OS/c1-9(2)13-16-11(8-18-13)12(17)15-7-10-4-3-5-14-6-10/h3-6,8-9H,7H2,1-2H3,(H,15,17)
InChIKeyBJURFHDDUXWXSL-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.59
Rot. Bonds4

About 2-propan-2-yl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide

2-propan-2-yl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide (PubChem CID 110694215) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is 2-propan-2-yl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-propan-2-yl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
PubChem CID110694215
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC Name2-propan-2-yl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESCC(C)c1nc(C(=O)NCc2cccnc2)cs1
InChIInChI=1S/C13H15N3OS/c1-9(2)13-16-11(8-18-13)12(17)15-7-10-4-3-5-14-6-10/h3-6,8-9H,7H2,1-2H3,(H,15,17)
InChIKeyBJURFHDDUXWXSL-UHFFFAOYSA-N
XLogP2.59
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-(pyridin-3-ylmethylamino)-1,3-thiazole-4-carboxamide
CID 117089108
2-[4-(2-methylpropoxy)phenyl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 42865899
2-anilino-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 30860119
2-[1,3-benzodioxol-5-yl(hydroxy)methyl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 71728813
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide
CID 129396870
N-[(2-methoxyphenyl)methyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide
CID 110694211
2-[(4-benzylpiperazin-1-yl)methyl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 46056119
2-(1-aminoethyl)-N-[[3-(hydroxymethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 107218444
6-(pyridin-3-ylmethylcarbamoyl)pyridine-2-carboxylic acid
CID 43558442
2-methyl-6-(propan-2-ylamino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109360410
2-[[(3-chlorophenyl)carbamoyl-propan-2-ylamino]methyl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 1200433
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 53200939

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-propan-2-yl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide (CID 110694215) is 2-propan-2-yl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-propan-2-yl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-propan-2-yl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide is CC(C)c1nc(C(=O)NCc2cccnc2)cs1.
What is the InChIKey of 2-propan-2-yl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is BJURFHDDUXWXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-9(2)13-16-11(8-18-13)12(17)15-7-10-4-3-5-14-6-10/h3-6,8-9H,7H2,1-2H3,(H,15,17).
What are the key properties of 2-propan-2-yl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide?
2-propan-2-yl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 261.35 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 110694215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).