5-chloro-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide

C9H8ClN5OS — CID 80617679

IUPAC5-chloro-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCc1cnc(CNC(=O)c2nnc(Cl)s2)cn1
InChIInChI=1S/C9H8ClN5OS/c1-5-2-12-6(3-11-5)4-13-7(16)8-14-15-9(10)17-8/h2-3H,4H2,1H3,(H,13,16)
InChIKeyUMJNABVKEDRLFM-UHFFFAOYSA-N
MW269.72 g/mol
LogP1.22
Rot. Bonds3

About 5-chloro-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide

5-chloro-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80617679) has the molecular formula C9H8ClN5OS and a molecular weight of 269.72 g/mol. Its IUPAC name is 5-chloro-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
PubChem CID80617679
Molecular FormulaC9H8ClN5OS
Molecular Weight269.72 g/mol
Exact Mass269.01
IUPAC Name5-chloro-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCc1cnc(CNC(=O)c2nnc(Cl)s2)cn1
InChIInChI=1S/C9H8ClN5OS/c1-5-2-12-6(3-11-5)4-13-7(16)8-14-15-9(10)17-8/h2-3H,4H2,1H3,(H,13,16)
InChIKeyUMJNABVKEDRLFM-UHFFFAOYSA-N
XLogP1.22
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.72
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 80618520
(5-methylpyrazin-2-yl)methylurea
CID 62845946
5-chloro-2-fluoro-N-[(5-methylpyrazin-2-yl)methyl]benzamide
CID 62847042
5-bromo-N-[(5-methylpyrazin-2-yl)methyl]pyridine-2-carboxamide
CID 62954782
5-chloro-2-hydroxy-N-[(5-methylpyrazin-2-yl)methyl]benzamide
CID 62848141
3,5-dibromo-N-[(5-methylpyrazin-2-yl)methyl]benzamide
CID 114023576
5,6-dichloro-N-[(5-methylpyrazin-2-yl)methyl]pyridine-3-carboxamide
CID 62847930
5-chloro-N-(pyridazin-3-ylmethyl)-1,3,4-thiadiazole-2-carboxamide
CID 106895536
5-chloro-N-(furan-2-ylmethyl)-1,3,4-thiadiazole-2-carboxamide
CID 80625309
6-amino-3-chloro-N-[(5-methylpyrazin-2-yl)methyl]pyridine-2-carboxamide
CID 62841226
5-(methylamino)-N-[(5-methylpyrazin-2-yl)methyl]pyridine-2-carboxamide
CID 104641171
5-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 112668776

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-chloro-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide (CID 80617679) is 5-chloro-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide is Cc1cnc(CNC(=O)c2nnc(Cl)s2)cn1.
What is the InChIKey of 5-chloro-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is UMJNABVKEDRLFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN5OS/c1-5-2-12-6(3-11-5)4-13-7(16)8-14-15-9(10)17-8/h2-3H,4H2,1H3,(H,13,16).
What are the key properties of 5-chloro-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide?
5-chloro-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 269.72 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80617679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).