N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]-3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazole-5-carboxamide

C11H10N10OS — CID 157016835

IUPACN-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]-3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazole-5-carboxamide
SMILESCc1nn2cc(CNC(=O)c3nc(-n4cnnc4)n[nH]3)nc2s1
InChIInChI=1S/C11H10N10OS/c1-6-19-21-3-7(15-11(21)23-6)2-12-9(22)8-16-10(18-17-8)20-4-13-14-5-20/h3-5H,2H2,1H3,(H,12,22)(H,16,17,18)
InChIKeyVESHPXNRWGOHEP-UHFFFAOYSA-N
MW330.34 g/mol
LogP-0.27
Rot. Bonds4

About N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]-3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazole-5-carboxamide

N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]-3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazole-5-carboxamide (PubChem CID 157016835) has the molecular formula C11H10N10OS and a molecular weight of 330.34 g/mol. Its IUPAC name is N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]-3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]-3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazole-5-carboxamide
PubChem CID157016835
Molecular FormulaC11H10N10OS
Molecular Weight330.34 g/mol
Exact Mass330.08
IUPAC NameN-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]-3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazole-5-carboxamide
SMILESCc1nn2cc(CNC(=O)c3nc(-n4cnnc4)n[nH]3)nc2s1
InChIInChI=1S/C11H10N10OS/c1-6-19-21-3-7(15-11(21)23-6)2-12-9(22)8-16-10(18-17-8)20-4-13-14-5-20/h3-5H,2H2,1H3,(H,12,22)(H,16,17,18)
InChIKeyVESHPXNRWGOHEP-UHFFFAOYSA-N
XLogP-0.27
TPSA131.57 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]-3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]-3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazole-5-carboxamide (CID 157016835) is N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]-3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]-3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]-3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazole-5-carboxamide is Cc1nn2cc(CNC(=O)c3nc(-n4cnnc4)n[nH]3)nc2s1.
What is the InChIKey of N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]-3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is VESHPXNRWGOHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N10OS/c1-6-19-21-3-7(15-11(21)23-6)2-12-9(22)8-16-10(18-17-8)20-4-13-14-5-20/h3-5H,2H2,1H3,(H,12,22)(H,16,17,18).
What are the key properties of N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]-3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazole-5-carboxamide?
N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]-3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 330.34 g/mol, XLogP of -0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]-3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 157016835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).