5-chloro-N-(5-methyl-1,3-thiazol-2-yl)-1,3,4-thiadiazole-2-carboxamide

C7H5ClN4OS2 — CID 80625727

IUPAC5-chloro-N-(5-methyl-1,3-thiazol-2-yl)-1,3,4-thiadiazole-2-carboxamide
SMILESCc1cnc(NC(=O)c2nnc(Cl)s2)s1
InChIInChI=1S/C7H5ClN4OS2/c1-3-2-9-7(14-3)10-4(13)5-11-12-6(8)15-5/h2H,1H3,(H,9,10,13)
InChIKeyWZBQMWMYYUYCOU-UHFFFAOYSA-N
MW260.73 g/mol
LogP2.21
Rot. Bonds2

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

5-chloro-N-(5-methyl-1,3-thiazol-2-yl)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80625727) has the molecular formula C7H5ClN4OS2 and a molecular weight of 260.73 g/mol. Its IUPAC name is 5-chloro-N-(5-methyl-1,3-thiazol-2-yl)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(5-methyl-1,3-thiazol-2-yl)-1,3,4-thiadiazole-2-carboxamide
PubChem CID80625727
Molecular FormulaC7H5ClN4OS2
Molecular Weight260.73 g/mol
Exact Mass259.96
IUPAC Name5-chloro-N-(5-methyl-1,3-thiazol-2-yl)-1,3,4-thiadiazole-2-carboxamide
SMILESCc1cnc(NC(=O)c2nnc(Cl)s2)s1
InChIInChI=1S/C7H5ClN4OS2/c1-3-2-9-7(14-3)10-4(13)5-11-12-6(8)15-5/h2H,1H3,(H,9,10,13)
InChIKeyWZBQMWMYYUYCOU-UHFFFAOYSA-N
XLogP2.21
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.73
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(5-methyl-1,3-thiazol-2-yl)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-chloro-N-(5-methyl-1,3-thiazol-2-yl)-1,3,4-thiadiazole-2-carboxamide (CID 80625727) is 5-chloro-N-(5-methyl-1,3-thiazol-2-yl)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(5-methyl-1,3-thiazol-2-yl)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-chloro-N-(5-methyl-1,3-thiazol-2-yl)-1,3,4-thiadiazole-2-carboxamide is Cc1cnc(NC(=O)c2nnc(Cl)s2)s1.
What is the InChIKey of 5-chloro-N-(5-methyl-1,3-thiazol-2-yl)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is WZBQMWMYYUYCOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN4OS2/c1-3-2-9-7(14-3)10-4(13)5-11-12-6(8)15-5/h2H,1H3,(H,9,10,13).
What are the key properties of 5-chloro-N-(5-methyl-1,3-thiazol-2-yl)-1,3,4-thiadiazole-2-carboxamide?
5-chloro-N-(5-methyl-1,3-thiazol-2-yl)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 260.73 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(5-methyl-1,3-thiazol-2-yl)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80625727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).