N,1-dimethyl-N-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]imidazole-4-carboxamide

C15H22N6OS — CID 172881011

IUPACN,1-dimethyl-N-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]imidazole-4-carboxamide
SMILESCc1nsc(N2CCC(CN(C)C(=O)c3cn(C)cn3)CC2)n1
InChIInChI=1S/C15H22N6OS/c1-11-17-15(23-18-11)21-6-4-12(5-7-21)8-20(3)14(22)13-9-19(2)10-16-13/h9-10,12H,4-8H2,1-3H3
InChIKeyKPBSTNZPVFLMMR-UHFFFAOYSA-N
MW334.45 g/mol
LogP1.57
Rot. Bonds4

About N,1-dimethyl-N-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]imidazole-4-carboxamide

N,1-dimethyl-N-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]imidazole-4-carboxamide (PubChem CID 172881011) has the molecular formula C15H22N6OS and a molecular weight of 334.45 g/mol. Its IUPAC name is N,1-dimethyl-N-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]imidazole-4-carboxamide.

Molecular Properties

Compound NameN,1-dimethyl-N-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]imidazole-4-carboxamide
PubChem CID172881011
Molecular FormulaC15H22N6OS
Molecular Weight334.45 g/mol
Exact Mass334.16
IUPAC NameN,1-dimethyl-N-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]imidazole-4-carboxamide
SMILESCc1nsc(N2CCC(CN(C)C(=O)c3cn(C)cn3)CC2)n1
InChIInChI=1S/C15H22N6OS/c1-11-17-15(23-18-11)21-6-4-12(5-7-21)8-20(3)14(22)13-9-19(2)10-16-13/h9-10,12H,4-8H2,1-3H3
InChIKeyKPBSTNZPVFLMMR-UHFFFAOYSA-N
XLogP1.57
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]imidazole-4-carboxamide?
The IUPAC name of N,1-dimethyl-N-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]imidazole-4-carboxamide (CID 172881011) is N,1-dimethyl-N-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]imidazole-4-carboxamide.
What is the SMILES notation for N,1-dimethyl-N-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]imidazole-4-carboxamide?
The canonical SMILES for N,1-dimethyl-N-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]imidazole-4-carboxamide is Cc1nsc(N2CCC(CN(C)C(=O)c3cn(C)cn3)CC2)n1.
What is the InChIKey of N,1-dimethyl-N-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]imidazole-4-carboxamide?
The InChIKey is KPBSTNZPVFLMMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6OS/c1-11-17-15(23-18-11)21-6-4-12(5-7-21)8-20(3)14(22)13-9-19(2)10-16-13/h9-10,12H,4-8H2,1-3H3.
What are the key properties of N,1-dimethyl-N-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]imidazole-4-carboxamide?
N,1-dimethyl-N-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]imidazole-4-carboxamide has a molecular weight of 334.45 g/mol, XLogP of 1.57, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]imidazole-4-carboxamide is sourced from PubChem (CID 172881011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).