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

C8H7ClN4OS2 — CID 80619542

IUPAC5-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCc1ncc(CNC(=O)c2nnc(Cl)s2)s1
InChIInChI=1S/C8H7ClN4OS2/c1-4-10-2-5(15-4)3-11-6(14)7-12-13-8(9)16-7/h2H,3H2,1H3,(H,11,14)
InChIKeyDTHINELEZSBYLD-UHFFFAOYSA-N
MW274.76 g/mol
LogP1.89
Rot. Bonds3

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

5-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80619542) has the molecular formula C8H7ClN4OS2 and a molecular weight of 274.76 g/mol. Its IUPAC name is 5-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
PubChem CID80619542
Molecular FormulaC8H7ClN4OS2
Molecular Weight274.76 g/mol
Exact Mass273.97
IUPAC Name5-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCc1ncc(CNC(=O)c2nnc(Cl)s2)s1
InChIInChI=1S/C8H7ClN4OS2/c1-4-10-2-5(15-4)3-11-6(14)7-12-13-8(9)16-7/h2H,3H2,1H3,(H,11,14)
InChIKeyDTHINELEZSBYLD-UHFFFAOYSA-N
XLogP1.89
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.76
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazole-2-carboxamide (CID 80619542) is 5-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazole-2-carboxamide is Cc1ncc(CNC(=O)c2nnc(Cl)s2)s1.
What is the InChIKey of 5-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is DTHINELEZSBYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN4OS2/c1-4-10-2-5(15-4)3-11-6(14)7-12-13-8(9)16-7/h2H,3H2,1H3,(H,11,14).
What are the key properties of 5-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazole-2-carboxamide?
5-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 274.76 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80619542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).