N-[(1R)-2,3-dihydro-1H-inden-1-yl]-N,2,4-trimethyl-1,3-thiazole-5-carboxamide

C16H18N2OS — CID 35205344

IUPACN-[(1R)-2,3-dihydro-1H-inden-1-yl]-N,2,4-trimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)N(C)[C@@H]2CCc3ccccc32)s1
InChIInChI=1S/C16H18N2OS/c1-10-15(20-11(2)17-10)16(19)18(3)14-9-8-12-6-4-5-7-13(12)14/h4-7,14H,8-9H2,1-3H3/t14-/m1/s1
InChIKeyYPZASVBFGPWMTF-CQSZACIVSA-N
MW286.40 g/mol
LogP3.52
Rot. Bonds2

About N-[(1R)-2,3-dihydro-1H-inden-1-yl]-N,2,4-trimethyl-1,3-thiazole-5-carboxamide

N-[(1R)-2,3-dihydro-1H-inden-1-yl]-N,2,4-trimethyl-1,3-thiazole-5-carboxamide (PubChem CID 35205344) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is N-[(1R)-2,3-dihydro-1H-inden-1-yl]-N,2,4-trimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1R)-2,3-dihydro-1H-inden-1-yl]-N,2,4-trimethyl-1,3-thiazole-5-carboxamide
PubChem CID35205344
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC NameN-[(1R)-2,3-dihydro-1H-inden-1-yl]-N,2,4-trimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)N(C)[C@@H]2CCc3ccccc32)s1
InChIInChI=1S/C16H18N2OS/c1-10-15(20-11(2)17-10)16(19)18(3)14-9-8-12-6-4-5-7-13(12)14/h4-7,14H,8-9H2,1-3H3/t14-/m1/s1
InChIKeyYPZASVBFGPWMTF-CQSZACIVSA-N
XLogP3.52
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2,3-dihydro-1H-inden-1-yl]-N,2,4-trimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(1R)-2,3-dihydro-1H-inden-1-yl]-N,2,4-trimethyl-1,3-thiazole-5-carboxamide (CID 35205344) is N-[(1R)-2,3-dihydro-1H-inden-1-yl]-N,2,4-trimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(1R)-2,3-dihydro-1H-inden-1-yl]-N,2,4-trimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(1R)-2,3-dihydro-1H-inden-1-yl]-N,2,4-trimethyl-1,3-thiazole-5-carboxamide is Cc1nc(C)c(C(=O)N(C)[C@@H]2CCc3ccccc32)s1.
What is the InChIKey of N-[(1R)-2,3-dihydro-1H-inden-1-yl]-N,2,4-trimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is YPZASVBFGPWMTF-CQSZACIVSA-N. The full InChI is InChI=1S/C16H18N2OS/c1-10-15(20-11(2)17-10)16(19)18(3)14-9-8-12-6-4-5-7-13(12)14/h4-7,14H,8-9H2,1-3H3/t14-/m1/s1.
What are the key properties of N-[(1R)-2,3-dihydro-1H-inden-1-yl]-N,2,4-trimethyl-1,3-thiazole-5-carboxamide?
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-N,2,4-trimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 286.40 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2,3-dihydro-1H-inden-1-yl]-N,2,4-trimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 35205344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).