N-propyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide

C13H15N3OS — CID 29151812

IUPACN-propyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESCCCN(Cc1cccnc1)C(=O)c1cscn1
InChIInChI=1S/C13H15N3OS/c1-2-6-16(8-11-4-3-5-14-7-11)13(17)12-9-18-10-15-12/h3-5,7,9-10H,2,6,8H2,1H3
InChIKeyDVQNFDKSRDMUIX-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.59
Rot. Bonds5

About N-propyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide

N-propyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide (PubChem CID 29151812) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is N-propyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-propyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
PubChem CID29151812
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC NameN-propyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESCCCN(Cc1cccnc1)C(=O)c1cscn1
InChIInChI=1S/C13H15N3OS/c1-2-6-16(8-11-4-3-5-14-7-11)13(17)12-9-18-10-15-12/h3-5,7,9-10H,2,6,8H2,1H3
InChIKeyDVQNFDKSRDMUIX-UHFFFAOYSA-N
XLogP2.59
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-aminophenyl)methyl]-N-propyl-1,3-thiazole-4-carboxamide
CID 63022155
N-benzyl-N-(2-bromoethyl)-1,3-thiazole-4-carboxamide
CID 80662159
2-amino-N-propyl-N-(pyridin-3-ylmethyl)benzamide
CID 89323235
N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 42520313
N-(3-amino-3-oxopropyl)-N-benzyl-1,3-thiazole-4-carboxamide
CID 63048716
N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
CID 63047508
2-methoxy-N-(pyridin-3-ylmethyl)-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide
CID 46396677
1-(difluoromethyl)-5-methyl-N-propyl-N-(pyridin-3-ylmethyl)pyrrole-2-carboxamide
CID 121498039
N-(pyridin-2-ylmethyl)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 102199988
N-(3-amino-3-sulfanylidenepropyl)-N-(pyridin-3-ylmethyl)thiadiazole-4-carboxamide
CID 65216045
N-(2-bromoethyl)-N-ethyl-1,3-thiazole-4-carboxamide
CID 80660747
N-propyl-N-(2-pyridin-3-ylethyl)propanamide
CID 10262913

Frequently Asked Questions

What is the IUPAC name of N-propyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-propyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide (CID 29151812) is N-propyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-propyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-propyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide is CCCN(Cc1cccnc1)C(=O)c1cscn1.
What is the InChIKey of N-propyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is DVQNFDKSRDMUIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-2-6-16(8-11-4-3-5-14-7-11)13(17)12-9-18-10-15-12/h3-5,7,9-10H,2,6,8H2,1H3.
What are the key properties of N-propyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide?
N-propyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 261.35 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 29151812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).