2-[4-(2-chloroethyl)-1,3-thiazol-2-yl]-5-methyl-1,3-thiazole

C9H9ClN2S2 — CID 130965339

IUPAC2-[4-(2-chloroethyl)-1,3-thiazol-2-yl]-5-methyl-1,3-thiazole
SMILESCc1cnc(-c2nc(CCCl)cs2)s1
InChIInChI=1S/C9H9ClN2S2/c1-6-4-11-8(14-6)9-12-7(2-3-10)5-13-9/h4-5H,2-3H2,1H3
InChIKeyQRZFDEQWEHWYIB-UHFFFAOYSA-N
MW244.77 g/mol
LogP3.36
Rot. Bonds3

About 2-[4-(2-chloroethyl)-1,3-thiazol-2-yl]-5-methyl-1,3-thiazole

2-[4-(2-chloroethyl)-1,3-thiazol-2-yl]-5-methyl-1,3-thiazole (PubChem CID 130965339) has the molecular formula C9H9ClN2S2 and a molecular weight of 244.77 g/mol. Its IUPAC name is 2-[4-(2-chloroethyl)-1,3-thiazol-2-yl]-5-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-[4-(2-chloroethyl)-1,3-thiazol-2-yl]-5-methyl-1,3-thiazole
PubChem CID130965339
Molecular FormulaC9H9ClN2S2
Molecular Weight244.77 g/mol
Exact Mass243.99
IUPAC Name2-[4-(2-chloroethyl)-1,3-thiazol-2-yl]-5-methyl-1,3-thiazole
SMILESCc1cnc(-c2nc(CCCl)cs2)s1
InChIInChI=1S/C9H9ClN2S2/c1-6-4-11-8(14-6)9-12-7(2-3-10)5-13-9/h4-5H,2-3H2,1H3
InChIKeyQRZFDEQWEHWYIB-UHFFFAOYSA-N
XLogP3.36
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.77
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2-chloroethyl)-2-(5-chloro-1-methylimidazol-2-yl)-1,3-thiazole
CID 130512359
4-[4-(2-chloroethyl)-1,3-thiazol-2-yl]-2-methyl-1,3-oxazole
CID 130517502
4-(2-chloroethyl)-2-(2-methoxy-5-methylphenyl)-1,3-thiazole
CID 116888989
4-(2-chloroethyl)-2-(4-ethylphenyl)-1,3-thiazole
CID 82087844
ethyl 3-[2-(5-chloro-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]propanoate
CID 107124580
4-(2-chloroethyl)-2-(4-propan-2-ylphenyl)-1,3-thiazole
CID 82091885
1-[2-(5-chloro-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-N-methylmethanamine
CID 107125243
4-(2-chloroethyl)-2-(3-methoxyphenyl)-1,3-thiazole
CID 82088342
4-(2-chloroethyl)-2-(1-methyltriazol-4-yl)-1,3-thiazole
CID 130598605
4-(3-chloropropyl)-2-(3,5-dimethoxyphenyl)-1,3-thiazole
CID 103399605
2-(3-bromo-4-methoxyphenyl)-4-(2-chloroethyl)-1,3-thiazole
CID 116888995
2-[2-(5-methylthiophen-2-yl)-1,3-thiazol-4-yl]ethanol
CID 115089075

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-chloroethyl)-1,3-thiazol-2-yl]-5-methyl-1,3-thiazole?
The IUPAC name of 2-[4-(2-chloroethyl)-1,3-thiazol-2-yl]-5-methyl-1,3-thiazole (CID 130965339) is 2-[4-(2-chloroethyl)-1,3-thiazol-2-yl]-5-methyl-1,3-thiazole.
What is the SMILES notation for 2-[4-(2-chloroethyl)-1,3-thiazol-2-yl]-5-methyl-1,3-thiazole?
The canonical SMILES for 2-[4-(2-chloroethyl)-1,3-thiazol-2-yl]-5-methyl-1,3-thiazole is Cc1cnc(-c2nc(CCCl)cs2)s1.
What is the InChIKey of 2-[4-(2-chloroethyl)-1,3-thiazol-2-yl]-5-methyl-1,3-thiazole?
The InChIKey is QRZFDEQWEHWYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2S2/c1-6-4-11-8(14-6)9-12-7(2-3-10)5-13-9/h4-5H,2-3H2,1H3.
What are the key properties of 2-[4-(2-chloroethyl)-1,3-thiazol-2-yl]-5-methyl-1,3-thiazole?
2-[4-(2-chloroethyl)-1,3-thiazol-2-yl]-5-methyl-1,3-thiazole has a molecular weight of 244.77 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-chloroethyl)-1,3-thiazol-2-yl]-5-methyl-1,3-thiazole is sourced from PubChem (CID 130965339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).