N-(2-methylpropyl)-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-1-carboxamide

C17H27N3OS — CID 110628908

IUPACN-(2-methylpropyl)-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-1-carboxamide
SMILESCC(C)CNC(=O)N1CCC(c2nc3c(s2)CCCC3)CC1
InChIInChI=1S/C17H27N3OS/c1-12(2)11-18-17(21)20-9-7-13(8-10-20)16-19-14-5-3-4-6-15(14)22-16/h12-13H,3-11H2,1-2H3,(H,18,21)
InChIKeyRGXFQSYSVNFCSX-UHFFFAOYSA-N
MW321.49 g/mol
LogP3.57
Rot. Bonds3

About N-(2-methylpropyl)-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-1-carboxamide

N-(2-methylpropyl)-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-1-carboxamide (PubChem CID 110628908) has the molecular formula C17H27N3OS and a molecular weight of 321.49 g/mol. Its IUPAC name is N-(2-methylpropyl)-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-1-carboxamide
PubChem CID110628908
Molecular FormulaC17H27N3OS
Molecular Weight321.49 g/mol
Exact Mass321.19
IUPAC NameN-(2-methylpropyl)-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-1-carboxamide
SMILESCC(C)CNC(=O)N1CCC(c2nc3c(s2)CCCC3)CC1
InChIInChI=1S/C17H27N3OS/c1-12(2)11-18-17(21)20-9-7-13(8-10-20)16-19-14-5-3-4-6-15(14)22-16/h12-13H,3-11H2,1-2H3,(H,18,21)
InChIKeyRGXFQSYSVNFCSX-UHFFFAOYSA-N
XLogP3.57
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.49
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-1-carboxamide?
The IUPAC name of N-(2-methylpropyl)-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-1-carboxamide (CID 110628908) is N-(2-methylpropyl)-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-1-carboxamide?
The canonical SMILES for N-(2-methylpropyl)-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-1-carboxamide is CC(C)CNC(=O)N1CCC(c2nc3c(s2)CCCC3)CC1.
What is the InChIKey of N-(2-methylpropyl)-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-1-carboxamide?
The InChIKey is RGXFQSYSVNFCSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3OS/c1-12(2)11-18-17(21)20-9-7-13(8-10-20)16-19-14-5-3-4-6-15(14)22-16/h12-13H,3-11H2,1-2H3,(H,18,21).
What are the key properties of N-(2-methylpropyl)-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-1-carboxamide?
N-(2-methylpropyl)-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-1-carboxamide has a molecular weight of 321.49 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 110628908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).