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

C12H21ClN4OS — CID 80618010

IUPAC5-chloro-N-[2-(dimethylamino)-3-ethylpentyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCCC(CC)C(CNC(=O)c1nnc(Cl)s1)N(C)C
InChIInChI=1S/C12H21ClN4OS/c1-5-8(6-2)9(17(3)4)7-14-10(18)11-15-16-12(13)19-11/h8-9H,5-7H2,1-4H3,(H,14,18)
InChIKeyZLFQSTKCUZQKQX-UHFFFAOYSA-N
MW304.85 g/mol
LogP2.29
Rot. Bonds7

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

5-chloro-N-[2-(dimethylamino)-3-ethylpentyl]-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80618010) has the molecular formula C12H21ClN4OS and a molecular weight of 304.85 g/mol. Its IUPAC name is 5-chloro-N-[2-(dimethylamino)-3-ethylpentyl]-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-(dimethylamino)-3-ethylpentyl]-1,3,4-thiadiazole-2-carboxamide
PubChem CID80618010
Molecular FormulaC12H21ClN4OS
Molecular Weight304.85 g/mol
Exact Mass304.11
IUPAC Name5-chloro-N-[2-(dimethylamino)-3-ethylpentyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCCC(CC)C(CNC(=O)c1nnc(Cl)s1)N(C)C
InChIInChI=1S/C12H21ClN4OS/c1-5-8(6-2)9(17(3)4)7-14-10(18)11-15-16-12(13)19-11/h8-9H,5-7H2,1-4H3,(H,14,18)
InChIKeyZLFQSTKCUZQKQX-UHFFFAOYSA-N
XLogP2.29
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.85
LogP ≤ 52.29
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-ethylpentyl]-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-chloro-N-[2-(dimethylamino)-3-ethylpentyl]-1,3,4-thiadiazole-2-carboxamide (CID 80618010) is 5-chloro-N-[2-(dimethylamino)-3-ethylpentyl]-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-(dimethylamino)-3-ethylpentyl]-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[2-(dimethylamino)-3-ethylpentyl]-1,3,4-thiadiazole-2-carboxamide is CCC(CC)C(CNC(=O)c1nnc(Cl)s1)N(C)C.
What is the InChIKey of 5-chloro-N-[2-(dimethylamino)-3-ethylpentyl]-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is ZLFQSTKCUZQKQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21ClN4OS/c1-5-8(6-2)9(17(3)4)7-14-10(18)11-15-16-12(13)19-11/h8-9H,5-7H2,1-4H3,(H,14,18).
What are the key properties of 5-chloro-N-[2-(dimethylamino)-3-ethylpentyl]-1,3,4-thiadiazole-2-carboxamide?
5-chloro-N-[2-(dimethylamino)-3-ethylpentyl]-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 304.85 g/mol, XLogP of 2.29, 7 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-ethylpentyl]-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80618010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).