5-chloro-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,3,4-thiadiazole-2-carboxamide

C8H11ClN4O2S — CID 80626070

IUPAC5-chloro-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCC(C)NC(=O)CNC(=O)c1nnc(Cl)s1
InChIInChI=1S/C8H11ClN4O2S/c1-4(2)11-5(14)3-10-6(15)7-12-13-8(9)16-7/h4H,3H2,1-2H3,(H,10,15)(H,11,14)
InChIKeyYYIFSQOCAVDQRW-UHFFFAOYSA-N
MW262.72 g/mol
LogP0.45
Rot. Bonds4

About 5-chloro-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,3,4-thiadiazole-2-carboxamide

5-chloro-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80626070) has the molecular formula C8H11ClN4O2S and a molecular weight of 262.72 g/mol. Its IUPAC name is 5-chloro-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,3,4-thiadiazole-2-carboxamide
PubChem CID80626070
Molecular FormulaC8H11ClN4O2S
Molecular Weight262.72 g/mol
Exact Mass262.03
IUPAC Name5-chloro-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCC(C)NC(=O)CNC(=O)c1nnc(Cl)s1
InChIInChI=1S/C8H11ClN4O2S/c1-4(2)11-5(14)3-10-6(15)7-12-13-8(9)16-7/h4H,3H2,1-2H3,(H,10,15)(H,11,14)
InChIKeyYYIFSQOCAVDQRW-UHFFFAOYSA-N
XLogP0.45
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.72
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-pentan-3-yl-1,3,4-thiadiazole-2-carboxamide
CID 80625648
5-chloro-N-(3-phenylbutyl)-1,3,4-thiadiazole-2-carboxamide
CID 80619556
5-chloro-N-[4-(propanoylamino)phenyl]-1,3,4-thiadiazole-2-carboxamide
CID 80624941
N'-acetyl-5-chloro-1,3,4-thiadiazole-2-carbohydrazide
CID 80618648
5-chloro-N-(3-hydroxypropyl)-1,3,4-thiadiazole-2-carboxamide
CID 80625182
5-chloro-N-[(1-hydroxycyclopentyl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 80619325
N-[1-(4-bromophenyl)propan-2-yl]-5-chloro-1,3,4-thiadiazole-2-carboxamide
CID 80625854
5-chloro-N-[3-(2-methylpropoxy)propyl]-1,3,4-thiadiazole-2-carboxamide
CID 80618332
5-chloro-N-(1-piperidin-1-ylpropan-2-yl)-1,3,4-thiadiazole-2-carboxamide
CID 80625100
N-(4-amino-4-oxobutyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide
CID 80624913
N-(3-aminopropyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide
CID 80619306
5-chloro-N-[1-(2,6-difluorophenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide
CID 80625249

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-chloro-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,3,4-thiadiazole-2-carboxamide (CID 80626070) is 5-chloro-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,3,4-thiadiazole-2-carboxamide is CC(C)NC(=O)CNC(=O)c1nnc(Cl)s1.
What is the InChIKey of 5-chloro-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is YYIFSQOCAVDQRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN4O2S/c1-4(2)11-5(14)3-10-6(15)7-12-13-8(9)16-7/h4H,3H2,1-2H3,(H,10,15)(H,11,14).
What are the key properties of 5-chloro-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,3,4-thiadiazole-2-carboxamide?
5-chloro-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 262.72 g/mol, XLogP of 0.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80626070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).