5-chloro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3,4-thiadiazole-2-carboxamide

C10H15ClN4OS — CID 80618349

IUPAC5-chloro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCN1CCC(CN(C)C(=O)c2nnc(Cl)s2)C1
InChIInChI=1S/C10H15ClN4OS/c1-14-4-3-7(5-14)6-15(2)9(16)8-12-13-10(11)17-8/h7H,3-6H2,1-2H3
InChIKeyBVJZTSOBBXLJLK-UHFFFAOYSA-N
MW274.78 g/mol
LogP1.22
Rot. Bonds3

About 5-chloro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3,4-thiadiazole-2-carboxamide

5-chloro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80618349) has the molecular formula C10H15ClN4OS and a molecular weight of 274.78 g/mol. Its IUPAC name is 5-chloro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
PubChem CID80618349
Molecular FormulaC10H15ClN4OS
Molecular Weight274.78 g/mol
Exact Mass274.07
IUPAC Name5-chloro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCN1CCC(CN(C)C(=O)c2nnc(Cl)s2)C1
InChIInChI=1S/C10H15ClN4OS/c1-14-4-3-7(5-14)6-15(2)9(16)8-12-13-10(11)17-8/h7H,3-6H2,1-2H3
InChIKeyBVJZTSOBBXLJLK-UHFFFAOYSA-N
XLogP1.22
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.78
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-chloro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3,4-thiadiazole-2-carboxamide (CID 80618349) is 5-chloro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-chloro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3,4-thiadiazole-2-carboxamide is CN1CCC(CN(C)C(=O)c2nnc(Cl)s2)C1.
What is the InChIKey of 5-chloro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is BVJZTSOBBXLJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4OS/c1-14-4-3-7(5-14)6-15(2)9(16)8-12-13-10(11)17-8/h7H,3-6H2,1-2H3.
What are the key properties of 5-chloro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3,4-thiadiazole-2-carboxamide?
5-chloro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 274.78 g/mol, XLogP of 1.22, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80618349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).