N-methyl-1-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]piperidine-2-carboxamide

C13H23N5OS — CID 80606297

IUPACN-methyl-1-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]piperidine-2-carboxamide
SMILESCCCNc1nnc(CN2CCCCC2C(=O)NC)s1
InChIInChI=1S/C13H23N5OS/c1-3-7-15-13-17-16-11(20-13)9-18-8-5-4-6-10(18)12(19)14-2/h10H,3-9H2,1-2H3,(H,14,19)(H,15,17)
InChIKeyYSXXPSHVDPLNOF-UHFFFAOYSA-N
MW297.43 g/mol
LogP1.46
Rot. Bonds6

About N-methyl-1-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]piperidine-2-carboxamide

N-methyl-1-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]piperidine-2-carboxamide (PubChem CID 80606297) has the molecular formula C13H23N5OS and a molecular weight of 297.43 g/mol. Its IUPAC name is N-methyl-1-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]piperidine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-1-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]piperidine-2-carboxamide
PubChem CID80606297
Molecular FormulaC13H23N5OS
Molecular Weight297.43 g/mol
Exact Mass297.16
IUPAC NameN-methyl-1-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]piperidine-2-carboxamide
SMILESCCCNc1nnc(CN2CCCCC2C(=O)NC)s1
InChIInChI=1S/C13H23N5OS/c1-3-7-15-13-17-16-11(20-13)9-18-8-5-4-6-10(18)12(19)14-2/h10H,3-9H2,1-2H3,(H,14,19)(H,15,17)
InChIKeyYSXXPSHVDPLNOF-UHFFFAOYSA-N
XLogP1.46
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.43
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]piperidine-2-carboxamide?
The IUPAC name of N-methyl-1-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]piperidine-2-carboxamide (CID 80606297) is N-methyl-1-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]piperidine-2-carboxamide.
What is the SMILES notation for N-methyl-1-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]piperidine-2-carboxamide?
The canonical SMILES for N-methyl-1-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]piperidine-2-carboxamide is CCCNc1nnc(CN2CCCCC2C(=O)NC)s1.
What is the InChIKey of N-methyl-1-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]piperidine-2-carboxamide?
The InChIKey is YSXXPSHVDPLNOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5OS/c1-3-7-15-13-17-16-11(20-13)9-18-8-5-4-6-10(18)12(19)14-2/h10H,3-9H2,1-2H3,(H,14,19)(H,15,17).
What are the key properties of N-methyl-1-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]piperidine-2-carboxamide?
N-methyl-1-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]piperidine-2-carboxamide has a molecular weight of 297.43 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]piperidine-2-carboxamide is sourced from PubChem (CID 80606297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).