2-piperidin-1-yl-N-(1,3-thiazol-2-ylmethyl)-1,3-thiazole-4-carboxamide

C13H16N4OS2 — CID 126828912

IUPAC2-piperidin-1-yl-N-(1,3-thiazol-2-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1nccs1)c1csc(N2CCCCC2)n1
InChIInChI=1S/C13H16N4OS2/c18-12(15-8-11-14-4-7-19-11)10-9-20-13(16-10)17-5-2-1-3-6-17/h4,7,9H,1-3,5-6,8H2,(H,15,18)
InChIKeyAMVDQAATYNLDQT-UHFFFAOYSA-N
MW308.43 g/mol
LogP2.52
Rot. Bonds4

About 2-piperidin-1-yl-N-(1,3-thiazol-2-ylmethyl)-1,3-thiazole-4-carboxamide

2-piperidin-1-yl-N-(1,3-thiazol-2-ylmethyl)-1,3-thiazole-4-carboxamide (PubChem CID 126828912) has the molecular formula C13H16N4OS2 and a molecular weight of 308.43 g/mol. Its IUPAC name is 2-piperidin-1-yl-N-(1,3-thiazol-2-ylmethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-piperidin-1-yl-N-(1,3-thiazol-2-ylmethyl)-1,3-thiazole-4-carboxamide
PubChem CID126828912
Molecular FormulaC13H16N4OS2
Molecular Weight308.43 g/mol
Exact Mass308.08
IUPAC Name2-piperidin-1-yl-N-(1,3-thiazol-2-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1nccs1)c1csc(N2CCCCC2)n1
InChIInChI=1S/C13H16N4OS2/c18-12(15-8-11-14-4-7-19-11)10-9-20-13(16-10)17-5-2-1-3-6-17/h4,7,9H,1-3,5-6,8H2,(H,15,18)
InChIKeyAMVDQAATYNLDQT-UHFFFAOYSA-N
XLogP2.52
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 1-[[(2-piperidin-1-yl-1,3-thiazole-4-carbonyl)amino]methyl]cyclopropane-1-carboxylate
CID 126840041
2-(4-phenylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 53200928
ethyl 2-(azepan-1-yl)-1,3-thiazole-4-carboxylate
CID 80568096
2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide
CID 131092459
N-[(3,5-difluoro-2-pyridinyl)methyl]-2-(4-piperidin-1-ylpiperidin-1-yl)-1,3-thiazole-4-carboxamide
CID 156735206
2-(4-methylpiperazin-1-yl)-1,3-thiazole-4-carbohydrazide
CID 67450642
N-(4-fluorophenyl)-2-piperidin-1-yl-1,3-thiazole-4-carboxamide;hydrochloride
CID 69168862
1-(1,3-thiazol-2-ylmethylcarbamoyl)piperidine-3-carboxylic acid
CID 54962570
N-[(4-chlorophenyl)methyl]-2-[4-(4-chlorophenyl)piperazin-1-yl]-1,3-thiazole-4-carboxamide
CID 53161103
N-(pyridin-3-ylmethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazole-4-carboxamide
CID 117080115
6-methyl-N-(1,3-thiazol-2-ylmethyl)pyridine-2-carboxamide
CID 110462485
6-chloro-N-(1,3-thiazol-2-ylmethyl)pyridine-2-carboxamide
CID 62234229

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-yl-N-(1,3-thiazol-2-ylmethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-piperidin-1-yl-N-(1,3-thiazol-2-ylmethyl)-1,3-thiazole-4-carboxamide (CID 126828912) is 2-piperidin-1-yl-N-(1,3-thiazol-2-ylmethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-piperidin-1-yl-N-(1,3-thiazol-2-ylmethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-piperidin-1-yl-N-(1,3-thiazol-2-ylmethyl)-1,3-thiazole-4-carboxamide is O=C(NCc1nccs1)c1csc(N2CCCCC2)n1.
What is the InChIKey of 2-piperidin-1-yl-N-(1,3-thiazol-2-ylmethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is AMVDQAATYNLDQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS2/c18-12(15-8-11-14-4-7-19-11)10-9-20-13(16-10)17-5-2-1-3-6-17/h4,7,9H,1-3,5-6,8H2,(H,15,18).
What are the key properties of 2-piperidin-1-yl-N-(1,3-thiazol-2-ylmethyl)-1,3-thiazole-4-carboxamide?
2-piperidin-1-yl-N-(1,3-thiazol-2-ylmethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 308.43 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-yl-N-(1,3-thiazol-2-ylmethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 126828912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).