1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-N-methylpiperidine-3-carboxamide

C12H18N4OS — CID 166605809

IUPAC1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(c2nnc(C3CC3)s2)C1
InChIInChI=1S/C12H18N4OS/c1-13-10(17)9-3-2-6-16(7-9)12-15-14-11(18-12)8-4-5-8/h8-9H,2-7H2,1H3,(H,13,17)
InChIKeyANSHMQHRSHIECJ-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.38
Rot. Bonds3

About 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-N-methylpiperidine-3-carboxamide

1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-N-methylpiperidine-3-carboxamide (PubChem CID 166605809) has the molecular formula C12H18N4OS and a molecular weight of 266.37 g/mol. Its IUPAC name is 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-N-methylpiperidine-3-carboxamide
PubChem CID166605809
Molecular FormulaC12H18N4OS
Molecular Weight266.37 g/mol
Exact Mass266.12
IUPAC Name1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(c2nnc(C3CC3)s2)C1
InChIInChI=1S/C12H18N4OS/c1-13-10(17)9-3-2-6-16(7-9)12-15-14-11(18-12)8-4-5-8/h8-9H,2-7H2,1H3,(H,13,17)
InChIKeyANSHMQHRSHIECJ-UHFFFAOYSA-N
XLogP1.38
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
CID 166605821
2-(azepan-1-yl)-5-cyclopropyl-1,3,4-thiadiazole
CID 133365790
1-(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)-N-methylpiperidine-3-carboxamide
CID 103365979
(3R)-1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 97009426
N-methyl-1-([1,3]thiazolo[4,5-c]pyridin-2-yl)piperidine-3-carboxamide
CID 166605852
1-(4-chloro-1,2,5-thiadiazol-3-yl)-N-methylpiperidine-3-carboxamide
CID 103197464
1-(5-amino-1,3,4-thiadiazol-2-yl)piperidine-3-carboxylic acid
CID 122172593
N-methyl-1-pyridazin-3-ylpiperidine-3-carboxamide
CID 110269425
N-methyl-1-[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide
CID 106965704
1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]-N-methylpiperidine-3-carboxamide
CID 166605829
1-(5-bromo-1,3,4-thiadiazol-2-yl)-N-methylpiperidine-4-carboxamide;sulfane
CID 153404952
N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]cyclobutanecarboxamide
CID 171335296

Frequently Asked Questions

What is the IUPAC name of 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-N-methylpiperidine-3-carboxamide?
The IUPAC name of 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-N-methylpiperidine-3-carboxamide (CID 166605809) is 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-N-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-N-methylpiperidine-3-carboxamide is CNC(=O)C1CCCN(c2nnc(C3CC3)s2)C1.
What is the InChIKey of 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-N-methylpiperidine-3-carboxamide?
The InChIKey is ANSHMQHRSHIECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4OS/c1-13-10(17)9-3-2-6-16(7-9)12-15-14-11(18-12)8-4-5-8/h8-9H,2-7H2,1H3,(H,13,17).
What are the key properties of 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-N-methylpiperidine-3-carboxamide?
1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-N-methylpiperidine-3-carboxamide has a molecular weight of 266.37 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 166605809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).