5-(2-chloroethyl)-4-(2,3-dihydro-1H-inden-5-yl)-2-methyl-1,3-thiazole

C15H16ClNS — CID 93189973

IUPAC5-(2-chloroethyl)-4-(2,3-dihydro-1H-inden-5-yl)-2-methyl-1,3-thiazole
SMILESCc1nc(-c2ccc3c(c2)CCC3)c(CCCl)s1
InChIInChI=1S/C15H16ClNS/c1-10-17-15(14(18-10)7-8-16)13-6-5-11-3-2-4-12(11)9-13/h5-6,9H,2-4,7-8H2,1H3
InChIKeyHBLFVAGWOGWKQB-UHFFFAOYSA-N
MW277.82 g/mol
LogP4.39
Rot. Bonds3

About 5-(2-chloroethyl)-4-(2,3-dihydro-1H-inden-5-yl)-2-methyl-1,3-thiazole

5-(2-chloroethyl)-4-(2,3-dihydro-1H-inden-5-yl)-2-methyl-1,3-thiazole (PubChem CID 93189973) has the molecular formula C15H16ClNS and a molecular weight of 277.82 g/mol. Its IUPAC name is 5-(2-chloroethyl)-4-(2,3-dihydro-1H-inden-5-yl)-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-(2-chloroethyl)-4-(2,3-dihydro-1H-inden-5-yl)-2-methyl-1,3-thiazole
PubChem CID93189973
Molecular FormulaC15H16ClNS
Molecular Weight277.82 g/mol
Exact Mass277.07
IUPAC Name5-(2-chloroethyl)-4-(2,3-dihydro-1H-inden-5-yl)-2-methyl-1,3-thiazole
SMILESCc1nc(-c2ccc3c(c2)CCC3)c(CCCl)s1
InChIInChI=1S/C15H16ClNS/c1-10-17-15(14(18-10)7-8-16)13-6-5-11-3-2-4-12(11)9-13/h5-6,9H,2-4,7-8H2,1H3
InChIKeyHBLFVAGWOGWKQB-UHFFFAOYSA-N
XLogP4.39
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.82
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(2-chloroethyl)-4-(4-chlorophenyl)-2-methyl-1,3-thiazole
CID 28710033
4-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1,3-thiazol-2-amine
CID 8878238
2-[2-propan-2-yl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-5-yl]ethanamine
CID 82069465
[6-(2,3-dihydro-1H-inden-5-yl)-2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 82219881
4-(3,4-dimethylphenyl)-2-methyl-5-propyl-1,3-thiazole
CID 5020924
O-[2-[5-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]ethyl]hydroxylamine
CID 39390793
2,3-dimethyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3]thiazol-5-amine
CID 82068493
5-(chloromethyl)-4-(4-fluoro-3-methylphenyl)-2-methyl-1,3-thiazole
CID 28710048
5-(2-chloroethyl)-4-(2-methoxy-5-methylphenyl)-2-methyl-1,3-thiazole
CID 28710063
N,5-dimethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-amine
CID 39359852
5-(4-methylphenyl)-2,3-dihydro-1H-indene
CID 59217485
[5-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]hydrazine
CID 82049669

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloroethyl)-4-(2,3-dihydro-1H-inden-5-yl)-2-methyl-1,3-thiazole?
The IUPAC name of 5-(2-chloroethyl)-4-(2,3-dihydro-1H-inden-5-yl)-2-methyl-1,3-thiazole (CID 93189973) is 5-(2-chloroethyl)-4-(2,3-dihydro-1H-inden-5-yl)-2-methyl-1,3-thiazole.
What is the SMILES notation for 5-(2-chloroethyl)-4-(2,3-dihydro-1H-inden-5-yl)-2-methyl-1,3-thiazole?
The canonical SMILES for 5-(2-chloroethyl)-4-(2,3-dihydro-1H-inden-5-yl)-2-methyl-1,3-thiazole is Cc1nc(-c2ccc3c(c2)CCC3)c(CCCl)s1.
What is the InChIKey of 5-(2-chloroethyl)-4-(2,3-dihydro-1H-inden-5-yl)-2-methyl-1,3-thiazole?
The InChIKey is HBLFVAGWOGWKQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNS/c1-10-17-15(14(18-10)7-8-16)13-6-5-11-3-2-4-12(11)9-13/h5-6,9H,2-4,7-8H2,1H3.
What are the key properties of 5-(2-chloroethyl)-4-(2,3-dihydro-1H-inden-5-yl)-2-methyl-1,3-thiazole?
5-(2-chloroethyl)-4-(2,3-dihydro-1H-inden-5-yl)-2-methyl-1,3-thiazole has a molecular weight of 277.82 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloroethyl)-4-(2,3-dihydro-1H-inden-5-yl)-2-methyl-1,3-thiazole is sourced from PubChem (CID 93189973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).