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

C10H17ClN4OS — CID 80617663

IUPAC5-chloro-N-[2-(dimethylamino)-3-methylbutyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCC(C)C(CNC(=O)c1nnc(Cl)s1)N(C)C
InChIInChI=1S/C10H17ClN4OS/c1-6(2)7(15(3)4)5-12-8(16)9-13-14-10(11)17-9/h6-7H,5H2,1-4H3,(H,12,16)
InChIKeyQIJSZQKVDZJMHX-UHFFFAOYSA-N
MW276.79 g/mol
LogP1.51
Rot. Bonds5

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

5-chloro-N-[2-(dimethylamino)-3-methylbutyl]-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80617663) has the molecular formula C10H17ClN4OS and a molecular weight of 276.79 g/mol. Its IUPAC name is 5-chloro-N-[2-(dimethylamino)-3-methylbutyl]-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-(dimethylamino)-3-methylbutyl]-1,3,4-thiadiazole-2-carboxamide
PubChem CID80617663
Molecular FormulaC10H17ClN4OS
Molecular Weight276.79 g/mol
Exact Mass276.08
IUPAC Name5-chloro-N-[2-(dimethylamino)-3-methylbutyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCC(C)C(CNC(=O)c1nnc(Cl)s1)N(C)C
InChIInChI=1S/C10H17ClN4OS/c1-6(2)7(15(3)4)5-12-8(16)9-13-14-10(11)17-9/h6-7H,5H2,1-4H3,(H,12,16)
InChIKeyQIJSZQKVDZJMHX-UHFFFAOYSA-N
XLogP1.51
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.79
LogP ≤ 51.51
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)-3-methylbutyl]-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-chloro-N-[2-(dimethylamino)-3-methylbutyl]-1,3,4-thiadiazole-2-carboxamide (CID 80617663) is 5-chloro-N-[2-(dimethylamino)-3-methylbutyl]-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-(dimethylamino)-3-methylbutyl]-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[2-(dimethylamino)-3-methylbutyl]-1,3,4-thiadiazole-2-carboxamide is CC(C)C(CNC(=O)c1nnc(Cl)s1)N(C)C.
What is the InChIKey of 5-chloro-N-[2-(dimethylamino)-3-methylbutyl]-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is QIJSZQKVDZJMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN4OS/c1-6(2)7(15(3)4)5-12-8(16)9-13-14-10(11)17-9/h6-7H,5H2,1-4H3,(H,12,16).
What are the key properties of 5-chloro-N-[2-(dimethylamino)-3-methylbutyl]-1,3,4-thiadiazole-2-carboxamide?
5-chloro-N-[2-(dimethylamino)-3-methylbutyl]-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 276.79 g/mol, XLogP of 1.51, 5 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)-3-methylbutyl]-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80617663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).