N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]pyridine-3-carboxamide

C12H11N5OS — CID 110873450

IUPACN-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]pyridine-3-carboxamide
SMILESCc1nn2cc(CNC(=O)c3cccnc3)nc2s1
InChIInChI=1S/C12H11N5OS/c1-8-16-17-7-10(15-12(17)19-8)6-14-11(18)9-3-2-4-13-5-9/h2-5,7H,6H2,1H3,(H,14,18)
InChIKeyOIIQCKXLYPSXNF-UHFFFAOYSA-N
MW273.32 g/mol
LogP1.42
Rot. Bonds3

About N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]pyridine-3-carboxamide

N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]pyridine-3-carboxamide (PubChem CID 110873450) has the molecular formula C12H11N5OS and a molecular weight of 273.32 g/mol. Its IUPAC name is N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]pyridine-3-carboxamide
PubChem CID110873450
Molecular FormulaC12H11N5OS
Molecular Weight273.32 g/mol
Exact Mass273.07
IUPAC NameN-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]pyridine-3-carboxamide
SMILESCc1nn2cc(CNC(=O)c3cccnc3)nc2s1
InChIInChI=1S/C12H11N5OS/c1-8-16-17-7-10(15-12(17)19-8)6-14-11(18)9-3-2-4-13-5-9/h2-5,7H,6H2,1H3,(H,14,18)
InChIKeyOIIQCKXLYPSXNF-UHFFFAOYSA-N
XLogP1.42
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
CID 47290675
N-[(2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]pyridine-3-carboxamide
CID 53163111
N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridine-3-carboxamide
CID 86835946
N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]pyridine-3-carboxamide
CID 90554952
N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]pyridine-3-carboxamide
CID 110714802
N-[(2-methyl-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 175769075
N-benzylpyridine-3-carboxamide chloride
CID 21204170
N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
CID 110755498
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
N-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]pyridine-3-carboxamide
CID 47070949
N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]pyridine-3-carboxamide
CID 71797285
N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
CID 17164666

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]pyridine-3-carboxamide (CID 110873450) is N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]pyridine-3-carboxamide is Cc1nn2cc(CNC(=O)c3cccnc3)nc2s1.
What is the InChIKey of N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]pyridine-3-carboxamide?
The InChIKey is OIIQCKXLYPSXNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5OS/c1-8-16-17-7-10(15-12(17)19-8)6-14-11(18)9-3-2-4-13-5-9/h2-5,7H,6H2,1H3,(H,14,18).
What are the key properties of N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]pyridine-3-carboxamide?
N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]pyridine-3-carboxamide has a molecular weight of 273.32 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 6 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]pyridine-3-carboxamide is sourced from PubChem (CID 110873450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).