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

C10H17ClN4OS — CID 80617673

IUPAC5-chloro-N-[2-(dimethylamino)ethyl]-N-propyl-1,3,4-thiadiazole-2-carboxamide
SMILESCCCN(CCN(C)C)C(=O)c1nnc(Cl)s1
InChIInChI=1S/C10H17ClN4OS/c1-4-5-15(7-6-14(2)3)9(16)8-12-13-10(11)17-8/h4-7H2,1-3H3
InChIKeyIXLDGGORIXWADH-UHFFFAOYSA-N
MW276.79 g/mol
LogP1.61
Rot. Bonds6

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

5-chloro-N-[2-(dimethylamino)ethyl]-N-propyl-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80617673) has the molecular formula C10H17ClN4OS and a molecular weight of 276.79 g/mol. Its IUPAC name is 5-chloro-N-[2-(dimethylamino)ethyl]-N-propyl-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-(dimethylamino)ethyl]-N-propyl-1,3,4-thiadiazole-2-carboxamide
PubChem CID80617673
Molecular FormulaC10H17ClN4OS
Molecular Weight276.79 g/mol
Exact Mass276.08
IUPAC Name5-chloro-N-[2-(dimethylamino)ethyl]-N-propyl-1,3,4-thiadiazole-2-carboxamide
SMILESCCCN(CCN(C)C)C(=O)c1nnc(Cl)s1
InChIInChI=1S/C10H17ClN4OS/c1-4-5-15(7-6-14(2)3)9(16)8-12-13-10(11)17-8/h4-7H2,1-3H3
InChIKeyIXLDGGORIXWADH-UHFFFAOYSA-N
XLogP1.61
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.79
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(dimethylamino)ethyl]-N-propyl-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-chloro-N-[2-(dimethylamino)ethyl]-N-propyl-1,3,4-thiadiazole-2-carboxamide (CID 80617673) is 5-chloro-N-[2-(dimethylamino)ethyl]-N-propyl-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-(dimethylamino)ethyl]-N-propyl-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[2-(dimethylamino)ethyl]-N-propyl-1,3,4-thiadiazole-2-carboxamide is CCCN(CCN(C)C)C(=O)c1nnc(Cl)s1.
What is the InChIKey of 5-chloro-N-[2-(dimethylamino)ethyl]-N-propyl-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is IXLDGGORIXWADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN4OS/c1-4-5-15(7-6-14(2)3)9(16)8-12-13-10(11)17-8/h4-7H2,1-3H3.
What are the key properties of 5-chloro-N-[2-(dimethylamino)ethyl]-N-propyl-1,3,4-thiadiazole-2-carboxamide?
5-chloro-N-[2-(dimethylamino)ethyl]-N-propyl-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 276.79 g/mol, XLogP of 1.61, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(dimethylamino)ethyl]-N-propyl-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80617673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).