N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-4-ethyl-1,3-thiazol-2-amine

C14H15ClN2S — CID 65028482

IUPACN-(2-chloro-2,3-dihydro-1H-inden-1-yl)-4-ethyl-1,3-thiazol-2-amine
SMILESCCc1csc(NC2c3ccccc3CC2Cl)n1
InChIInChI=1S/C14H15ClN2S/c1-2-10-8-18-14(16-10)17-13-11-6-4-3-5-9(11)7-12(13)15/h3-6,8,12-13H,2,7H2,1H3,(H,16,17)
InChIKeySNOGGDDWUWNJCO-UHFFFAOYSA-N
MW278.81 g/mol
LogP4.02
Rot. Bonds3

About N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-4-ethyl-1,3-thiazol-2-amine

N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-4-ethyl-1,3-thiazol-2-amine (PubChem CID 65028482) has the molecular formula C14H15ClN2S and a molecular weight of 278.81 g/mol. Its IUPAC name is N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-4-ethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-chloro-2,3-dihydro-1H-inden-1-yl)-4-ethyl-1,3-thiazol-2-amine
PubChem CID65028482
Molecular FormulaC14H15ClN2S
Molecular Weight278.81 g/mol
Exact Mass278.06
IUPAC NameN-(2-chloro-2,3-dihydro-1H-inden-1-yl)-4-ethyl-1,3-thiazol-2-amine
SMILESCCc1csc(NC2c3ccccc3CC2Cl)n1
InChIInChI=1S/C14H15ClN2S/c1-2-10-8-18-14(16-10)17-13-11-6-4-3-5-9(11)7-12(13)15/h3-6,8,12-13H,2,7H2,1H3,(H,16,17)
InChIKeySNOGGDDWUWNJCO-UHFFFAOYSA-N
XLogP4.02
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.81
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-6-ethylpyrimidin-4-amine
CID 65028168
N-(3,4-dihydro-2H-chromen-4-yl)-4-ethyl-1,3-thiazol-2-amine
CID 62961004
N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-1,2,4-thiadiazol-5-amine
CID 65277345
N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-2,6-dimethylpyrimidin-4-amine
CID 65028479
N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-4-ethoxypyrimidin-2-amine
CID 115975685
N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-6-ethoxypyrazin-2-amine
CID 65028581
4-ethyl-N-(2-methylcyclopropyl)-1,3-thiazol-2-amine
CID 62961373
(2S)-1-[(3,6-diethylpyrazin-2-yl)amino]-2,3-dihydro-1H-inden-2-ol
CID 59083163
N-(2-chloro-2,3-dihydro-1H-inden-1-yl)pyridazin-3-amine
CID 65028225
4-ethyl-N-(1-methylpiperidin-4-yl)-1,3-thiazol-2-amine
CID 62961905
N-(3-chlorocyclohexyl)-4-ethyl-1,3-thiazol-2-amine
CID 164659044
1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 111108844

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-4-ethyl-1,3-thiazol-2-amine?
The IUPAC name of N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-4-ethyl-1,3-thiazol-2-amine (CID 65028482) is N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-4-ethyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-4-ethyl-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-4-ethyl-1,3-thiazol-2-amine is CCc1csc(NC2c3ccccc3CC2Cl)n1.
What is the InChIKey of N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-4-ethyl-1,3-thiazol-2-amine?
The InChIKey is SNOGGDDWUWNJCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2S/c1-2-10-8-18-14(16-10)17-13-11-6-4-3-5-9(11)7-12(13)15/h3-6,8,12-13H,2,7H2,1H3,(H,16,17).
What are the key properties of N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-4-ethyl-1,3-thiazol-2-amine?
N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-4-ethyl-1,3-thiazol-2-amine has a molecular weight of 278.81 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-4-ethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 65028482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).