N-(2,3-dihydro-1H-inden-5-yl)-2-piperidin-4-yl-1,3-thiazole-4-carboxamide

C18H21N3OS — CID 23963957

IUPACN-(2,3-dihydro-1H-inden-5-yl)-2-piperidin-4-yl-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)CCC2)c1csc(C2CCNCC2)n1
InChIInChI=1S/C18H21N3OS/c22-17(20-15-5-4-12-2-1-3-14(12)10-15)16-11-23-18(21-16)13-6-8-19-9-7-13/h4-5,10-11,13,19H,1-3,6-9H2,(H,20,22)
InChIKeyLTKVBXQAKHHREO-UHFFFAOYSA-N
MW327.45 g/mol
LogP3.35
Rot. Bonds3

About N-(2,3-dihydro-1H-inden-5-yl)-2-piperidin-4-yl-1,3-thiazole-4-carboxamide

N-(2,3-dihydro-1H-inden-5-yl)-2-piperidin-4-yl-1,3-thiazole-4-carboxamide (PubChem CID 23963957) has the molecular formula C18H21N3OS and a molecular weight of 327.45 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-2-piperidin-4-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-yl)-2-piperidin-4-yl-1,3-thiazole-4-carboxamide
PubChem CID23963957
Molecular FormulaC18H21N3OS
Molecular Weight327.45 g/mol
Exact Mass327.14
IUPAC NameN-(2,3-dihydro-1H-inden-5-yl)-2-piperidin-4-yl-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)CCC2)c1csc(C2CCNCC2)n1
InChIInChI=1S/C18H21N3OS/c22-17(20-15-5-4-12-2-1-3-14(12)10-15)16-11-23-18(21-16)13-6-8-19-9-7-13/h4-5,10-11,13,19H,1-3,6-9H2,(H,20,22)
InChIKeyLTKVBXQAKHHREO-UHFFFAOYSA-N
XLogP3.35
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-2-piperidin-4-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-2-piperidin-4-yl-1,3-thiazole-4-carboxamide (CID 23963957) is N-(2,3-dihydro-1H-inden-5-yl)-2-piperidin-4-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-2-piperidin-4-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)-2-piperidin-4-yl-1,3-thiazole-4-carboxamide is O=C(Nc1ccc2c(c1)CCC2)c1csc(C2CCNCC2)n1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)-2-piperidin-4-yl-1,3-thiazole-4-carboxamide?
The InChIKey is LTKVBXQAKHHREO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3OS/c22-17(20-15-5-4-12-2-1-3-14(12)10-15)16-11-23-18(21-16)13-6-8-19-9-7-13/h4-5,10-11,13,19H,1-3,6-9H2,(H,20,22).
What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-2-piperidin-4-yl-1,3-thiazole-4-carboxamide?
N-(2,3-dihydro-1H-inden-5-yl)-2-piperidin-4-yl-1,3-thiazole-4-carboxamide has a molecular weight of 327.45 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-5-yl)-2-piperidin-4-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 23963957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).