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

C9H7ClN4OS2 — CID 80617667

IUPAC5-chloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)-1,3,4-thiadiazole-2-carboxamide
SMILESO=C(Nc1nc(C2CC2)cs1)c1nnc(Cl)s1
InChIInChI=1S/C9H7ClN4OS2/c10-8-14-13-7(17-8)6(15)12-9-11-5(3-16-9)4-1-2-4/h3-4H,1-2H2,(H,11,12,15)
InChIKeyREBPIYQFMXGMGH-UHFFFAOYSA-N
MW286.77 g/mol
LogP2.78
Rot. Bonds3

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

5-chloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80617667) has the molecular formula C9H7ClN4OS2 and a molecular weight of 286.77 g/mol. Its IUPAC name is 5-chloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)-1,3,4-thiadiazole-2-carboxamide
PubChem CID80617667
Molecular FormulaC9H7ClN4OS2
Molecular Weight286.77 g/mol
Exact Mass285.97
IUPAC Name5-chloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)-1,3,4-thiadiazole-2-carboxamide
SMILESO=C(Nc1nc(C2CC2)cs1)c1nnc(Cl)s1
InChIInChI=1S/C9H7ClN4OS2/c10-8-14-13-7(17-8)6(15)12-9-11-5(3-16-9)4-1-2-4/h3-4H,1-2H2,(H,11,12,15)
InChIKeyREBPIYQFMXGMGH-UHFFFAOYSA-N
XLogP2.78
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.77
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-chloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)-1,3,4-thiadiazole-2-carboxamide (CID 80617667) is 5-chloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-chloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)-1,3,4-thiadiazole-2-carboxamide is O=C(Nc1nc(C2CC2)cs1)c1nnc(Cl)s1.
What is the InChIKey of 5-chloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is REBPIYQFMXGMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN4OS2/c10-8-14-13-7(17-8)6(15)12-9-11-5(3-16-9)4-1-2-4/h3-4H,1-2H2,(H,11,12,15).
What are the key properties of 5-chloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)-1,3,4-thiadiazole-2-carboxamide?
5-chloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 286.77 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80617667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).