N-[(2-methyl-1,3-thiazol-4-yl)methyl]spiro[indene-1,4'-piperidine]-1'-carboxamide

C19H21N3OS — CID 119062370

IUPACN-[(2-methyl-1,3-thiazol-4-yl)methyl]spiro[indene-1,4'-piperidine]-1'-carboxamide
SMILESCc1nc(CNC(=O)N2CCC3(C=Cc4ccccc43)CC2)cs1
InChIInChI=1S/C19H21N3OS/c1-14-21-16(13-24-14)12-20-18(23)22-10-8-19(9-11-22)7-6-15-4-2-3-5-17(15)19/h2-7,13H,8-12H2,1H3,(H,20,23)
InChIKeyHGYDEDYYRTUMKG-UHFFFAOYSA-N
MW339.46 g/mol
LogP3.72
Rot. Bonds2

About N-[(2-methyl-1,3-thiazol-4-yl)methyl]spiro[indene-1,4'-piperidine]-1'-carboxamide

N-[(2-methyl-1,3-thiazol-4-yl)methyl]spiro[indene-1,4'-piperidine]-1'-carboxamide (PubChem CID 119062370) has the molecular formula C19H21N3OS and a molecular weight of 339.46 g/mol. Its IUPAC name is N-[(2-methyl-1,3-thiazol-4-yl)methyl]spiro[indene-1,4'-piperidine]-1'-carboxamide.

Molecular Properties

Compound NameN-[(2-methyl-1,3-thiazol-4-yl)methyl]spiro[indene-1,4'-piperidine]-1'-carboxamide
PubChem CID119062370
Molecular FormulaC19H21N3OS
Molecular Weight339.46 g/mol
Exact Mass339.14
IUPAC NameN-[(2-methyl-1,3-thiazol-4-yl)methyl]spiro[indene-1,4'-piperidine]-1'-carboxamide
SMILESCc1nc(CNC(=O)N2CCC3(C=Cc4ccccc43)CC2)cs1
InChIInChI=1S/C19H21N3OS/c1-14-21-16(13-24-14)12-20-18(23)22-10-8-19(9-11-22)7-6-15-4-2-3-5-17(15)19/h2-7,13H,8-12H2,1H3,(H,20,23)
InChIKeyHGYDEDYYRTUMKG-UHFFFAOYSA-N
XLogP3.72
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-1-[(2-methyl-1,3-thiazol-4-yl)methylcarbamoyl]piperidine-4-carboxylic acid
CID 63126941
N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]spiro[indene-1,4'-piperidine]-1'-carboxamide
CID 125440620
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-pyridin-4-yloxypiperidine-1-carboxamide
CID 119069111
2-ethyl-1-[(2-methyl-1,3-thiazol-4-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 83071216
(2R)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-phenyl-2-thiomorpholin-4-ylacetamide
CID 95282210
(3R)-3-(2,3-dimethoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-1-carboxamide
CID 126445759
N-[[3-(methylcarbamoyl)phenyl]methyl]-4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide
CID 55809558
6-cyclobutyl-4-methyl-3-(spiro[indene-1,4'-piperidine]-1'-carbonyl)pyran-2-one
CID 170507797
N-benzyl-3-ethylsulfanyl-2-(4-methylphenyl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide
CID 53209604
2-methoxy-1-[2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,1-dioxospiro[1,2-benzothiazole-3,3'-pyrrolidine]-1'-yl]ethanone
CID 131642192
1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]urea
CID 94030307
2-[2-[(2-methyl-1,3-thiazol-4-yl)methylcarbamoylamino]phenyl]acetic acid
CID 62534041

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-thiazol-4-yl)methyl]spiro[indene-1,4'-piperidine]-1'-carboxamide?
The IUPAC name of N-[(2-methyl-1,3-thiazol-4-yl)methyl]spiro[indene-1,4'-piperidine]-1'-carboxamide (CID 119062370) is N-[(2-methyl-1,3-thiazol-4-yl)methyl]spiro[indene-1,4'-piperidine]-1'-carboxamide.
What is the SMILES notation for N-[(2-methyl-1,3-thiazol-4-yl)methyl]spiro[indene-1,4'-piperidine]-1'-carboxamide?
The canonical SMILES for N-[(2-methyl-1,3-thiazol-4-yl)methyl]spiro[indene-1,4'-piperidine]-1'-carboxamide is Cc1nc(CNC(=O)N2CCC3(C=Cc4ccccc43)CC2)cs1.
What is the InChIKey of N-[(2-methyl-1,3-thiazol-4-yl)methyl]spiro[indene-1,4'-piperidine]-1'-carboxamide?
The InChIKey is HGYDEDYYRTUMKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3OS/c1-14-21-16(13-24-14)12-20-18(23)22-10-8-19(9-11-22)7-6-15-4-2-3-5-17(15)19/h2-7,13H,8-12H2,1H3,(H,20,23).
What are the key properties of N-[(2-methyl-1,3-thiazol-4-yl)methyl]spiro[indene-1,4'-piperidine]-1'-carboxamide?
N-[(2-methyl-1,3-thiazol-4-yl)methyl]spiro[indene-1,4'-piperidine]-1'-carboxamide has a molecular weight of 339.46 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1,3-thiazol-4-yl)methyl]spiro[indene-1,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 119062370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).