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

C10H16ClN3O2S — CID 106146301

IUPAC5-chloro-N-(5-hydroxy-2,2-dimethylpentyl)-1,3,4-thiadiazole-2-carboxamide
SMILESCC(C)(CCCO)CNC(=O)c1nnc(Cl)s1
InChIInChI=1S/C10H16ClN3O2S/c1-10(2,4-3-5-15)6-12-7(16)8-13-14-9(11)17-8/h15H,3-6H2,1-2H3,(H,12,16)
InChIKeySXSMBPMQXIDVDG-UHFFFAOYSA-N
MW277.78 g/mol
LogP1.72
Rot. Bonds6

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

5-chloro-N-(5-hydroxy-2,2-dimethylpentyl)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 106146301) has the molecular formula C10H16ClN3O2S and a molecular weight of 277.78 g/mol. Its IUPAC name is 5-chloro-N-(5-hydroxy-2,2-dimethylpentyl)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(5-hydroxy-2,2-dimethylpentyl)-1,3,4-thiadiazole-2-carboxamide
PubChem CID106146301
Molecular FormulaC10H16ClN3O2S
Molecular Weight277.78 g/mol
Exact Mass277.07
IUPAC Name5-chloro-N-(5-hydroxy-2,2-dimethylpentyl)-1,3,4-thiadiazole-2-carboxamide
SMILESCC(C)(CCCO)CNC(=O)c1nnc(Cl)s1
InChIInChI=1S/C10H16ClN3O2S/c1-10(2,4-3-5-15)6-12-7(16)8-13-14-9(11)17-8/h15H,3-6H2,1-2H3,(H,12,16)
InChIKeySXSMBPMQXIDVDG-UHFFFAOYSA-N
XLogP1.72
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.78
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(5-hydroxy-2,2-dimethylpentyl)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-chloro-N-(5-hydroxy-2,2-dimethylpentyl)-1,3,4-thiadiazole-2-carboxamide (CID 106146301) is 5-chloro-N-(5-hydroxy-2,2-dimethylpentyl)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(5-hydroxy-2,2-dimethylpentyl)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-chloro-N-(5-hydroxy-2,2-dimethylpentyl)-1,3,4-thiadiazole-2-carboxamide is CC(C)(CCCO)CNC(=O)c1nnc(Cl)s1.
What is the InChIKey of 5-chloro-N-(5-hydroxy-2,2-dimethylpentyl)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is SXSMBPMQXIDVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O2S/c1-10(2,4-3-5-15)6-12-7(16)8-13-14-9(11)17-8/h15H,3-6H2,1-2H3,(H,12,16).
What are the key properties of 5-chloro-N-(5-hydroxy-2,2-dimethylpentyl)-1,3,4-thiadiazole-2-carboxamide?
5-chloro-N-(5-hydroxy-2,2-dimethylpentyl)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 277.78 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(5-hydroxy-2,2-dimethylpentyl)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 106146301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).