7-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide

C15H17N5OS — CID 17448829

IUPAC7-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESCc1ccn2cc(C(=O)Nc3nnc(CC(C)C)s3)nc2c1
InChIInChI=1S/C15H17N5OS/c1-9(2)6-13-18-19-15(22-13)17-14(21)11-8-20-5-4-10(3)7-12(20)16-11/h4-5,7-9H,6H2,1-3H3,(H,17,19,21)
InChIKeyWGZOLVQSGBGYRP-UHFFFAOYSA-N
MW315.40 g/mol
LogP2.95
Rot. Bonds4

About 7-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide

7-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 17448829) has the molecular formula C15H17N5OS and a molecular weight of 315.40 g/mol. Its IUPAC name is 7-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound Name7-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID17448829
Molecular FormulaC15H17N5OS
Molecular Weight315.40 g/mol
Exact Mass315.12
IUPAC Name7-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESCc1ccn2cc(C(=O)Nc3nnc(CC(C)C)s3)nc2c1
InChIInChI=1S/C15H17N5OS/c1-9(2)6-13-18-19-15(22-13)17-14(21)11-8-20-5-4-10(3)7-12(20)16-11/h4-5,7-9H,6H2,1-3H3,(H,17,19,21)
InChIKeyWGZOLVQSGBGYRP-UHFFFAOYSA-N
XLogP2.95
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of 7-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide (CID 17448829) is 7-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for 7-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for 7-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide is Cc1ccn2cc(C(=O)Nc3nnc(CC(C)C)s3)nc2c1.
What is the InChIKey of 7-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is WGZOLVQSGBGYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5OS/c1-9(2)6-13-18-19-15(22-13)17-14(21)11-8-20-5-4-10(3)7-12(20)16-11/h4-5,7-9H,6H2,1-3H3,(H,17,19,21).
What are the key properties of 7-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide?
7-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 315.40 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 17448829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).