5-chloro-N-(1H-imidazol-2-yl)-1,3,4-thiadiazole-2-carboxamide

C6H4ClN5OS — CID 80619445

IUPAC5-chloro-N-(1H-imidazol-2-yl)-1,3,4-thiadiazole-2-carboxamide
SMILESO=C(Nc1ncc[nH]1)c1nnc(Cl)s1
InChIInChI=1S/C6H4ClN5OS/c7-5-12-11-4(14-5)3(13)10-6-8-1-2-9-6/h1-2H,(H2,8,9,10,13)
InChIKeyUPOQDVSEGOAVEF-UHFFFAOYSA-N
MW229.65 g/mol
LogP1.17
Rot. Bonds2

About 5-chloro-N-(1H-imidazol-2-yl)-1,3,4-thiadiazole-2-carboxamide

5-chloro-N-(1H-imidazol-2-yl)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80619445) has the molecular formula C6H4ClN5OS and a molecular weight of 229.65 g/mol. Its IUPAC name is 5-chloro-N-(1H-imidazol-2-yl)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(1H-imidazol-2-yl)-1,3,4-thiadiazole-2-carboxamide
PubChem CID80619445
Molecular FormulaC6H4ClN5OS
Molecular Weight229.65 g/mol
Exact Mass228.98
IUPAC Name5-chloro-N-(1H-imidazol-2-yl)-1,3,4-thiadiazole-2-carboxamide
SMILESO=C(Nc1ncc[nH]1)c1nnc(Cl)s1
InChIInChI=1S/C6H4ClN5OS/c7-5-12-11-4(14-5)3(13)10-6-8-1-2-9-6/h1-2H,(H2,8,9,10,13)
InChIKeyUPOQDVSEGOAVEF-UHFFFAOYSA-N
XLogP1.17
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.65
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1H-imidazol-2-yl)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-chloro-N-(1H-imidazol-2-yl)-1,3,4-thiadiazole-2-carboxamide (CID 80619445) is 5-chloro-N-(1H-imidazol-2-yl)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(1H-imidazol-2-yl)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-chloro-N-(1H-imidazol-2-yl)-1,3,4-thiadiazole-2-carboxamide is O=C(Nc1ncc[nH]1)c1nnc(Cl)s1.
What is the InChIKey of 5-chloro-N-(1H-imidazol-2-yl)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is UPOQDVSEGOAVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClN5OS/c7-5-12-11-4(14-5)3(13)10-6-8-1-2-9-6/h1-2H,(H2,8,9,10,13).
What are the key properties of 5-chloro-N-(1H-imidazol-2-yl)-1,3,4-thiadiazole-2-carboxamide?
5-chloro-N-(1H-imidazol-2-yl)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 229.65 g/mol, XLogP of 1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1H-imidazol-2-yl)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80619445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).