N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide

C13H14N6OS — CID 70755481

IUPACN-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESO=C(NCc1nnc2n1CCCC2)c1cn2ccsc2n1
InChIInChI=1S/C13H14N6OS/c20-12(9-8-18-5-6-21-13(18)15-9)14-7-11-17-16-10-3-1-2-4-19(10)11/h5-6,8H,1-4,7H2,(H,14,20)
InChIKeyQHQNCHHPNKHORA-UHFFFAOYSA-N
MW302.36 g/mol
LogP1.25
Rot. Bonds3

About N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide

N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide (PubChem CID 70755481) has the molecular formula C13H14N6OS and a molecular weight of 302.36 g/mol. Its IUPAC name is N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide.

Molecular Properties

Compound NameN-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
PubChem CID70755481
Molecular FormulaC13H14N6OS
Molecular Weight302.36 g/mol
Exact Mass302.09
IUPAC NameN-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESO=C(NCc1nnc2n1CCCC2)c1cn2ccsc2n1
InChIInChI=1S/C13H14N6OS/c20-12(9-8-18-5-6-21-13(18)15-9)14-7-11-17-16-10-3-1-2-4-19(10)11/h5-6,8H,1-4,7H2,(H,14,20)
InChIKeyQHQNCHHPNKHORA-UHFFFAOYSA-N
XLogP1.25
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide with MolForge

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Related Compounds

1-(2-aminoethyl)-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)triazole-4-carboxamide
CID 70769257
1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)urea
CID 51083693
2,3,5,6-tetramethyl-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)benzamide
CID 46999266
1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)-3-(1-thiophen-2-ylethyl)urea
CID 51077775
1-(2-methyl-1-thiophen-2-ylpropyl)-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)urea
CID 51083706
methyl 4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethylcarbamoyl)benzoate
CID 17444434
3,5-diacetamido-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)benzamide
CID 24676695
4-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 87045977
1-piperidin-1-yl-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)cyclohexane-1-carboxamide
CID 50977682
4-oxo-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)-4-thiophen-2-ylbutanamide
CID 47014546
2-naphthalen-2-yl-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)acetamide
CID 46524881
N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 30094775

Frequently Asked Questions

What is the IUPAC name of N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The IUPAC name of N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide (CID 70755481) is N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide.
What is the SMILES notation for N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The canonical SMILES for N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide is O=C(NCc1nnc2n1CCCC2)c1cn2ccsc2n1.
What is the InChIKey of N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The InChIKey is QHQNCHHPNKHORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6OS/c20-12(9-8-18-5-6-21-13(18)15-9)14-7-11-17-16-10-3-1-2-4-19(10)11/h5-6,8H,1-4,7H2,(H,14,20).
What are the key properties of N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide?
N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide has a molecular weight of 302.36 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide is sourced from PubChem (CID 70755481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).