N-[(1R)-6-chloro-2,3-dihydro-1H-inden-1-yl]-4-methyl-1,3-thiazole-5-carboxamide

C14H13ClN2OS — CID 142729755

IUPACN-[(1R)-6-chloro-2,3-dihydro-1H-inden-1-yl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)N[C@@H]1CCc2ccc(Cl)cc21
InChIInChI=1S/C14H13ClN2OS/c1-8-13(19-7-16-8)14(18)17-12-5-3-9-2-4-10(15)6-11(9)12/h2,4,6-7,12H,3,5H2,1H3,(H,17,18)/t12-/m1/s1
InChIKeyYHRFTTASCAIXMU-GFCCVEGCSA-N
MW292.79 g/mol
LogP3.52
Rot. Bonds2

About N-[(1R)-6-chloro-2,3-dihydro-1H-inden-1-yl]-4-methyl-1,3-thiazole-5-carboxamide

N-[(1R)-6-chloro-2,3-dihydro-1H-inden-1-yl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 142729755) has the molecular formula C14H13ClN2OS and a molecular weight of 292.79 g/mol. Its IUPAC name is N-[(1R)-6-chloro-2,3-dihydro-1H-inden-1-yl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1R)-6-chloro-2,3-dihydro-1H-inden-1-yl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID142729755
Molecular FormulaC14H13ClN2OS
Molecular Weight292.79 g/mol
Exact Mass292.04
IUPAC NameN-[(1R)-6-chloro-2,3-dihydro-1H-inden-1-yl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)N[C@@H]1CCc2ccc(Cl)cc21
InChIInChI=1S/C14H13ClN2OS/c1-8-13(19-7-16-8)14(18)17-12-5-3-9-2-4-10(15)6-11(9)12/h2,4,6-7,12H,3,5H2,1H3,(H,17,18)/t12-/m1/s1
InChIKeyYHRFTTASCAIXMU-GFCCVEGCSA-N
XLogP3.52
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.79
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 79740729
N-[(1S,2S)-2-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 100612885
5-[(6-chloro-2,3-dihydro-1H-inden-1-yl)carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 138028565
N-(2,4-dichlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 54102334
6-chloro-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 54776023
2-[(6-chloro-2,3-dihydro-1H-inden-1-yl)amino]-N-methylacetamide
CID 115867597
[(1R)-6-chloro-2,3-dihydro-1H-inden-1-yl]hydrazine
CID 124537604
6-chloro-N-cyclopentyl-2,3-dihydro-1H-inden-1-amine
CID 115867576
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-chloro-4-methylthiophene-2-carboxamide
CID 103403825
cis-(1S,3R)-3-[(4-methyl-1,3-thiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 97318338
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-5-chloro-2-methylbenzamide
CID 82870824
N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2-hydroxy-3-methylbenzamide
CID 155283136

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-6-chloro-2,3-dihydro-1H-inden-1-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(1R)-6-chloro-2,3-dihydro-1H-inden-1-yl]-4-methyl-1,3-thiazole-5-carboxamide (CID 142729755) is N-[(1R)-6-chloro-2,3-dihydro-1H-inden-1-yl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(1R)-6-chloro-2,3-dihydro-1H-inden-1-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(1R)-6-chloro-2,3-dihydro-1H-inden-1-yl]-4-methyl-1,3-thiazole-5-carboxamide is Cc1ncsc1C(=O)N[C@@H]1CCc2ccc(Cl)cc21.
What is the InChIKey of N-[(1R)-6-chloro-2,3-dihydro-1H-inden-1-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is YHRFTTASCAIXMU-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H13ClN2OS/c1-8-13(19-7-16-8)14(18)17-12-5-3-9-2-4-10(15)6-11(9)12/h2,4,6-7,12H,3,5H2,1H3,(H,17,18)/t12-/m1/s1.
What are the key properties of N-[(1R)-6-chloro-2,3-dihydro-1H-inden-1-yl]-4-methyl-1,3-thiazole-5-carboxamide?
N-[(1R)-6-chloro-2,3-dihydro-1H-inden-1-yl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 292.79 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-6-chloro-2,3-dihydro-1H-inden-1-yl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 142729755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).