5-chloro-N-pentan-3-yl-1,3,4-thiadiazole-2-carboxamide

C8H12ClN3OS — CID 80625648

IUPAC5-chloro-N-pentan-3-yl-1,3,4-thiadiazole-2-carboxamide
SMILESCCC(CC)NC(=O)c1nnc(Cl)s1
InChIInChI=1S/C8H12ClN3OS/c1-3-5(4-2)10-6(13)7-11-12-8(9)14-7/h5H,3-4H2,1-2H3,(H,10,13)
InChIKeyWCSIXLCXXKURNM-UHFFFAOYSA-N
MW233.72 g/mol
LogP2.11
Rot. Bonds4

About 5-chloro-N-pentan-3-yl-1,3,4-thiadiazole-2-carboxamide

5-chloro-N-pentan-3-yl-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80625648) has the molecular formula C8H12ClN3OS and a molecular weight of 233.72 g/mol. Its IUPAC name is 5-chloro-N-pentan-3-yl-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-pentan-3-yl-1,3,4-thiadiazole-2-carboxamide
PubChem CID80625648
Molecular FormulaC8H12ClN3OS
Molecular Weight233.72 g/mol
Exact Mass233.04
IUPAC Name5-chloro-N-pentan-3-yl-1,3,4-thiadiazole-2-carboxamide
SMILESCCC(CC)NC(=O)c1nnc(Cl)s1
InChIInChI=1S/C8H12ClN3OS/c1-3-5(4-2)10-6(13)7-11-12-8(9)14-7/h5H,3-4H2,1-2H3,(H,10,13)
InChIKeyWCSIXLCXXKURNM-UHFFFAOYSA-N
XLogP2.11
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.72
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(ethylamino)-N-pentan-3-yl-1,3,4-thiadiazole-2-carboxamide
CID 80615864
5-chloro-N-(1-hydroxy-3-phenylpropan-2-yl)-1,3,4-thiadiazole-2-carboxamide
CID 80618194
5-chloro-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,3,4-thiadiazole-2-carboxamide
CID 80626070
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-(1-piperidin-1-ylpropan-2-yl)-1,3,4-thiadiazole-2-carboxamide
CID 80625100
N-[1-(4-bromophenyl)propan-2-yl]-5-chloro-1,3,4-thiadiazole-2-carboxamide
CID 80625854
5-chloro-N-[1-(2,6-difluorophenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide
CID 80625249
5-chloro-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1,3,4-thiadiazole-2-carboxamide
CID 80625511
5-chloro-N-(1-naphthalen-1-ylethyl)-1,3,4-thiadiazole-2-carboxamide
CID 80617813
5-(ethylamino)-N-(1-methoxybutan-2-yl)-1,3,4-thiadiazole-2-carboxamide
CID 80616601
5-chloro-N-[1-(4-methylsulfanylphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide
CID 80625192

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-pentan-3-yl-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-chloro-N-pentan-3-yl-1,3,4-thiadiazole-2-carboxamide (CID 80625648) is 5-chloro-N-pentan-3-yl-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-pentan-3-yl-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-chloro-N-pentan-3-yl-1,3,4-thiadiazole-2-carboxamide is CCC(CC)NC(=O)c1nnc(Cl)s1.
What is the InChIKey of 5-chloro-N-pentan-3-yl-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is WCSIXLCXXKURNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3OS/c1-3-5(4-2)10-6(13)7-11-12-8(9)14-7/h5H,3-4H2,1-2H3,(H,10,13).
What are the key properties of 5-chloro-N-pentan-3-yl-1,3,4-thiadiazole-2-carboxamide?
5-chloro-N-pentan-3-yl-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 233.72 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-pentan-3-yl-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80625648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).