N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-2,3-dihydro-1H-indene-5-carboxamide

C19H23N3OS — CID 9169455

IUPACN-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-2,3-dihydro-1H-indene-5-carboxamide
SMILESO=C(Nc1nc(CN2CCCCC2)cs1)c1ccc2c(c1)CCC2
InChIInChI=1S/C19H23N3OS/c23-18(16-8-7-14-5-4-6-15(14)11-16)21-19-20-17(13-24-19)12-22-9-2-1-3-10-22/h7-8,11,13H,1-6,9-10,12H2,(H,20,21,23)
InChIKeyFQOGVXBUUQCTBE-UHFFFAOYSA-N
MW341.48 g/mol
LogP3.87
Rot. Bonds4

About N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-2,3-dihydro-1H-indene-5-carboxamide

N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-2,3-dihydro-1H-indene-5-carboxamide (PubChem CID 9169455) has the molecular formula C19H23N3OS and a molecular weight of 341.48 g/mol. Its IUPAC name is N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-2,3-dihydro-1H-indene-5-carboxamide.

Molecular Properties

Compound NameN-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-2,3-dihydro-1H-indene-5-carboxamide
PubChem CID9169455
Molecular FormulaC19H23N3OS
Molecular Weight341.48 g/mol
Exact Mass341.16
IUPAC NameN-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-2,3-dihydro-1H-indene-5-carboxamide
SMILESO=C(Nc1nc(CN2CCCCC2)cs1)c1ccc2c(c1)CCC2
InChIInChI=1S/C19H23N3OS/c23-18(16-8-7-14-5-4-6-15(14)11-16)21-19-20-17(13-24-19)12-22-9-2-1-3-10-22/h7-8,11,13H,1-6,9-10,12H2,(H,20,21,23)
InChIKeyFQOGVXBUUQCTBE-UHFFFAOYSA-N
XLogP3.87
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide
CID 17477064
3-[[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]carbamoyl]benzoic acid
CID 138001675
N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-1,3-benzodioxole-5-carboxamide
CID 30182915
4-methoxy-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 30182781
N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-4-pyrrol-1-ylbenzamide
CID 30183729
3-(methanesulfonamido)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 30184646
3-(methylsulfonylmethyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 30183831
4-butoxy-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 30183318
3-(acetamidomethyl)-N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 166227366
2-hydroxy-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 134051886
5-bromo-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 78775861
3-[methyl(propan-2-yl)sulfamoyl]-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 30182568

Frequently Asked Questions

What is the IUPAC name of N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-2,3-dihydro-1H-indene-5-carboxamide?
The IUPAC name of N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-2,3-dihydro-1H-indene-5-carboxamide (CID 9169455) is N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-2,3-dihydro-1H-indene-5-carboxamide.
What is the SMILES notation for N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-2,3-dihydro-1H-indene-5-carboxamide?
The canonical SMILES for N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-2,3-dihydro-1H-indene-5-carboxamide is O=C(Nc1nc(CN2CCCCC2)cs1)c1ccc2c(c1)CCC2.
What is the InChIKey of N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-2,3-dihydro-1H-indene-5-carboxamide?
The InChIKey is FQOGVXBUUQCTBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3OS/c23-18(16-8-7-14-5-4-6-15(14)11-16)21-19-20-17(13-24-19)12-22-9-2-1-3-10-22/h7-8,11,13H,1-6,9-10,12H2,(H,20,21,23).
What are the key properties of N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-2,3-dihydro-1H-indene-5-carboxamide?
N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-2,3-dihydro-1H-indene-5-carboxamide has a molecular weight of 341.48 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-2,3-dihydro-1H-indene-5-carboxamide is sourced from PubChem (CID 9169455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).