5-chloro-N-(2-cyclopropylethyl)-1,3,4-thiadiazole-2-carboxamide

C8H10ClN3OS — CID 80619704

IUPAC5-chloro-N-(2-cyclopropylethyl)-1,3,4-thiadiazole-2-carboxamide
SMILESO=C(NCCC1CC1)c1nnc(Cl)s1
InChIInChI=1S/C8H10ClN3OS/c9-8-12-11-7(14-8)6(13)10-4-3-5-1-2-5/h5H,1-4H2,(H,10,13)
InChIKeyHLNJEBUNNXHHLE-UHFFFAOYSA-N
MW231.71 g/mol
LogP1.72
Rot. Bonds4

About 5-chloro-N-(2-cyclopropylethyl)-1,3,4-thiadiazole-2-carboxamide

5-chloro-N-(2-cyclopropylethyl)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80619704) has the molecular formula C8H10ClN3OS and a molecular weight of 231.71 g/mol. Its IUPAC name is 5-chloro-N-(2-cyclopropylethyl)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(2-cyclopropylethyl)-1,3,4-thiadiazole-2-carboxamide
PubChem CID80619704
Molecular FormulaC8H10ClN3OS
Molecular Weight231.71 g/mol
Exact Mass231.02
IUPAC Name5-chloro-N-(2-cyclopropylethyl)-1,3,4-thiadiazole-2-carboxamide
SMILESO=C(NCCC1CC1)c1nnc(Cl)s1
InChIInChI=1S/C8H10ClN3OS/c9-8-12-11-7(14-8)6(13)10-4-3-5-1-2-5/h5H,1-4H2,(H,10,13)
InChIKeyHLNJEBUNNXHHLE-UHFFFAOYSA-N
XLogP1.72
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.71
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-(5,5,5-trifluoropentyl)-1,3,4-thiadiazole-2-carboxamide
CID 115517942
N-(3-cyclopropylpropyl)-1,3,4-thiadiazole-2-carboxamide
CID 143205358
5-chloro-N-[2-(dimethylamino)-3-methylbutyl]-1,3,4-thiadiazole-2-carboxamide
CID 80617663
5-chloro-N-hexan-3-yl-1,3,4-thiadiazole-2-carboxamide
CID 80617675
5-chloro-N-[2-(dimethylamino)-4-methylpentyl]-1,3,4-thiadiazole-2-carboxamide
CID 80617825
5-chloro-N-(2-methylcyclopropyl)-1,3,4-thiadiazole-2-carboxamide
CID 80617834
5-chloro-N-(cyclopropylmethyl)-N-ethyl-1,3,4-thiadiazole-2-carboxamide
CID 80617843
5-chloro-N-(2-ethylhexyl)-1,3,4-thiadiazole-2-carboxamide
CID 80618005
5-chloro-N-[2-(2-methylpropanoylamino)ethyl]-1,3,4-thiadiazole-2-carboxamide
CID 80618006
5-chloro-N-[2-(dimethylamino)-3-ethylpentyl]-1,3,4-thiadiazole-2-carboxamide
CID 80618010
5-chloro-N-[(4-methylcyclohexyl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 80618024
5-chloro-N-(1-cyclopropylpropan-2-yl)-1,3,4-thiadiazole-2-carboxamide
CID 80618198

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-cyclopropylethyl)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-chloro-N-(2-cyclopropylethyl)-1,3,4-thiadiazole-2-carboxamide (CID 80619704) is 5-chloro-N-(2-cyclopropylethyl)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(2-cyclopropylethyl)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-chloro-N-(2-cyclopropylethyl)-1,3,4-thiadiazole-2-carboxamide is O=C(NCCC1CC1)c1nnc(Cl)s1.
What is the InChIKey of 5-chloro-N-(2-cyclopropylethyl)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is HLNJEBUNNXHHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3OS/c9-8-12-11-7(14-8)6(13)10-4-3-5-1-2-5/h5H,1-4H2,(H,10,13).
What are the key properties of 5-chloro-N-(2-cyclopropylethyl)-1,3,4-thiadiazole-2-carboxamide?
5-chloro-N-(2-cyclopropylethyl)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 231.71 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-cyclopropylethyl)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80619704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).