N-benzyl-2-(pyridin-3-ylmethylamino)-1,3-thiazole-4-carboxamide

C17H16N4OS — CID 117089108

IUPACN-benzyl-2-(pyridin-3-ylmethylamino)-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1ccccc1)c1csc(NCc2cccnc2)n1
InChIInChI=1S/C17H16N4OS/c22-16(19-10-13-5-2-1-3-6-13)15-12-23-17(21-15)20-11-14-7-4-8-18-9-14/h1-9,12H,10-11H2,(H,19,22)(H,20,21)
InChIKeyIQCSEIVVHMZDMS-UHFFFAOYSA-N
MW324.41 g/mol
LogP3.08
Rot. Bonds6

About N-benzyl-2-(pyridin-3-ylmethylamino)-1,3-thiazole-4-carboxamide

N-benzyl-2-(pyridin-3-ylmethylamino)-1,3-thiazole-4-carboxamide (PubChem CID 117089108) has the molecular formula C17H16N4OS and a molecular weight of 324.41 g/mol. Its IUPAC name is N-benzyl-2-(pyridin-3-ylmethylamino)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-(pyridin-3-ylmethylamino)-1,3-thiazole-4-carboxamide
PubChem CID117089108
Molecular FormulaC17H16N4OS
Molecular Weight324.41 g/mol
Exact Mass324.10
IUPAC NameN-benzyl-2-(pyridin-3-ylmethylamino)-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1ccccc1)c1csc(NCc2cccnc2)n1
InChIInChI=1S/C17H16N4OS/c22-16(19-10-13-5-2-1-3-6-13)15-12-23-17(21-15)20-11-14-7-4-8-18-9-14/h1-9,12H,10-11H2,(H,19,22)(H,20,21)
InChIKeyIQCSEIVVHMZDMS-UHFFFAOYSA-N
XLogP3.08
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-anilino-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 30860119
2-propan-2-yl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 110694215
2-benzamido-N-benzyl-1,3-thiazole-4-carboxamide
CID 16914921
2-[(4-benzylpiperazin-1-yl)methyl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 46056119
N-(pyridin-3-ylmethyl)-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109307168
6-(pyridin-3-ylmethylcarbamoyl)pyridine-2-carboxylic acid
CID 43558442
2-(phenylcarbamoylamino)-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide
CID 16948254
N-(pyridin-3-ylmethyl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109307312
2-phenyl-N-(2-pyridin-3-ylethyl)-1,3-thiazole-4-carboxamide
CID 46546339
N-(pyridin-3-ylmethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazole-4-carboxamide
CID 117080115
2-[[2-(benzylcarbamoylamino)-1,3-thiazole-4-carbonyl]amino]acetic acid
CID 18322900
N-[(4-fluorophenyl)methyl]-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide
CID 84555777

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(pyridin-3-ylmethylamino)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-benzyl-2-(pyridin-3-ylmethylamino)-1,3-thiazole-4-carboxamide (CID 117089108) is N-benzyl-2-(pyridin-3-ylmethylamino)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-benzyl-2-(pyridin-3-ylmethylamino)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-benzyl-2-(pyridin-3-ylmethylamino)-1,3-thiazole-4-carboxamide is O=C(NCc1ccccc1)c1csc(NCc2cccnc2)n1.
What is the InChIKey of N-benzyl-2-(pyridin-3-ylmethylamino)-1,3-thiazole-4-carboxamide?
The InChIKey is IQCSEIVVHMZDMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4OS/c22-16(19-10-13-5-2-1-3-6-13)15-12-23-17(21-15)20-11-14-7-4-8-18-9-14/h1-9,12H,10-11H2,(H,19,22)(H,20,21).
What are the key properties of N-benzyl-2-(pyridin-3-ylmethylamino)-1,3-thiazole-4-carboxamide?
N-benzyl-2-(pyridin-3-ylmethylamino)-1,3-thiazole-4-carboxamide has a molecular weight of 324.41 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(pyridin-3-ylmethylamino)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 117089108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).