5-chloro-N-[2-(dimethylamino)-4-methylpentyl]-1,3,4-thiadiazole-2-carboxamide

C11H19ClN4OS — CID 80617825

IUPAC5-chloro-N-[2-(dimethylamino)-4-methylpentyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCC(C)CC(CNC(=O)c1nnc(Cl)s1)N(C)C
InChIInChI=1S/C11H19ClN4OS/c1-7(2)5-8(16(3)4)6-13-9(17)10-14-15-11(12)18-10/h7-8H,5-6H2,1-4H3,(H,13,17)
InChIKeyATEACELNXDJLAK-UHFFFAOYSA-N
MW290.82 g/mol
LogP1.90
Rot. Bonds6

About 5-chloro-N-[2-(dimethylamino)-4-methylpentyl]-1,3,4-thiadiazole-2-carboxamide

5-chloro-N-[2-(dimethylamino)-4-methylpentyl]-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80617825) has the molecular formula C11H19ClN4OS and a molecular weight of 290.82 g/mol. Its IUPAC name is 5-chloro-N-[2-(dimethylamino)-4-methylpentyl]-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-(dimethylamino)-4-methylpentyl]-1,3,4-thiadiazole-2-carboxamide
PubChem CID80617825
Molecular FormulaC11H19ClN4OS
Molecular Weight290.82 g/mol
Exact Mass290.10
IUPAC Name5-chloro-N-[2-(dimethylamino)-4-methylpentyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCC(C)CC(CNC(=O)c1nnc(Cl)s1)N(C)C
InChIInChI=1S/C11H19ClN4OS/c1-7(2)5-8(16(3)4)6-13-9(17)10-14-15-11(12)18-10/h7-8H,5-6H2,1-4H3,(H,13,17)
InChIKeyATEACELNXDJLAK-UHFFFAOYSA-N
XLogP1.90
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.82
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(dimethylamino)-4-methylpentyl]-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-chloro-N-[2-(dimethylamino)-4-methylpentyl]-1,3,4-thiadiazole-2-carboxamide (CID 80617825) is 5-chloro-N-[2-(dimethylamino)-4-methylpentyl]-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-(dimethylamino)-4-methylpentyl]-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[2-(dimethylamino)-4-methylpentyl]-1,3,4-thiadiazole-2-carboxamide is CC(C)CC(CNC(=O)c1nnc(Cl)s1)N(C)C.
What is the InChIKey of 5-chloro-N-[2-(dimethylamino)-4-methylpentyl]-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is ATEACELNXDJLAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN4OS/c1-7(2)5-8(16(3)4)6-13-9(17)10-14-15-11(12)18-10/h7-8H,5-6H2,1-4H3,(H,13,17).
What are the key properties of 5-chloro-N-[2-(dimethylamino)-4-methylpentyl]-1,3,4-thiadiazole-2-carboxamide?
5-chloro-N-[2-(dimethylamino)-4-methylpentyl]-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 290.82 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(dimethylamino)-4-methylpentyl]-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80617825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).