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

C11H17ClN4OS — CID 80617684

IUPAC5-chloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCN1CCC(CN(C)C(=O)c2nnc(Cl)s2)CC1
InChIInChI=1S/C11H17ClN4OS/c1-15-5-3-8(4-6-15)7-16(2)10(17)9-13-14-11(12)18-9/h8H,3-7H2,1-2H3
InChIKeyYZCKXCWYYGZCQO-UHFFFAOYSA-N
MW288.80 g/mol
LogP1.61
Rot. Bonds3

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

5-chloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80617684) has the molecular formula C11H17ClN4OS and a molecular weight of 288.80 g/mol. Its IUPAC name is 5-chloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
PubChem CID80617684
Molecular FormulaC11H17ClN4OS
Molecular Weight288.80 g/mol
Exact Mass288.08
IUPAC Name5-chloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCN1CCC(CN(C)C(=O)c2nnc(Cl)s2)CC1
InChIInChI=1S/C11H17ClN4OS/c1-15-5-3-8(4-6-15)7-16(2)10(17)9-13-14-11(12)18-9/h8H,3-7H2,1-2H3
InChIKeyYZCKXCWYYGZCQO-UHFFFAOYSA-N
XLogP1.61
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.80
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-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-chloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1,3,4-thiadiazole-2-carboxamide (CID 80617684) is 5-chloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-chloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1,3,4-thiadiazole-2-carboxamide is CN1CCC(CN(C)C(=O)c2nnc(Cl)s2)CC1.
What is the InChIKey of 5-chloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is YZCKXCWYYGZCQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4OS/c1-15-5-3-8(4-6-15)7-16(2)10(17)9-13-14-11(12)18-9/h8H,3-7H2,1-2H3.
What are the key properties of 5-chloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1,3,4-thiadiazole-2-carboxamide?
5-chloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 288.80 g/mol, XLogP of 1.61, 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-methylpiperidin-4-yl)methyl]-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80617684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).