2,5-dichloro-4-methyl-1,3-thiazole

C4H3Cl2NS — CID 14338689

IUPAC2,5-dichloro-4-methyl-1,3-thiazole
SMILESCc1nc(Cl)sc1Cl
InChIInChI=1S/C4H3Cl2NS/c1-2-3(5)8-4(6)7-2/h1H3
InChIKeyRBEKLBIOMLTMFQ-UHFFFAOYSA-N
MW168.05 g/mol
LogP2.76
Rot. Bonds

About 2,5-dichloro-4-methyl-1,3-thiazole

2,5-dichloro-4-methyl-1,3-thiazole (PubChem CID 14338689) has the molecular formula C4H3Cl2NS and a molecular weight of 168.05 g/mol. Its IUPAC name is 2,5-dichloro-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2,5-dichloro-4-methyl-1,3-thiazole
PubChem CID14338689
Molecular FormulaC4H3Cl2NS
Molecular Weight168.05 g/mol
Exact Mass166.94
IUPAC Name2,5-dichloro-4-methyl-1,3-thiazole
SMILESCc1nc(Cl)sc1Cl
InChIInChI=1S/C4H3Cl2NS/c1-2-3(5)8-4(6)7-2/h1H3
InChIKeyRBEKLBIOMLTMFQ-UHFFFAOYSA-N
XLogP2.76
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.05
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-Dichlorothiazole-4-carbonitrile
CID 14555329
2-Chloro-5-iodo-4-methyl-1,3-thiazole
CID 158619111
5-Chloro-4-methyl-1,3-thiazole
CID 14338688
2,5-Dichloro-4-chloromethylthiazole
CID 14338691
2,5-Dichloro-4-(difluoromethyl)-1,3-thiazole
CID 15646852
2,5-Dichloro-4-(trifluoromethyl)-1,3-thiazole
CID 15646853
2,5-Dichloro-4-[chloro(difluoro)methyl]-1,3-thiazole
CID 19907894
5-Chloro-2-fluoro-4-(trifluoromethyl)thiazole
CID 40427104
5-Chloro-2-methyl-4-(trifluoromethyl)-1,3-thiazole
CID 54081093
5-Chloro-2-ethyl-4-(trifluoromethyl)-1,3-thiazole
CID 163606384
5-Chloro-2,4-dimethylthiazole
CID 20719823
5-Chloro-4-(chloromethyl)thiazole
CID 14338690

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-4-methyl-1,3-thiazole?
The IUPAC name of 2,5-dichloro-4-methyl-1,3-thiazole (CID 14338689) is 2,5-dichloro-4-methyl-1,3-thiazole.
What is the SMILES notation for 2,5-dichloro-4-methyl-1,3-thiazole?
The canonical SMILES for 2,5-dichloro-4-methyl-1,3-thiazole is Cc1nc(Cl)sc1Cl.
What is the InChIKey of 2,5-dichloro-4-methyl-1,3-thiazole?
The InChIKey is RBEKLBIOMLTMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3Cl2NS/c1-2-3(5)8-4(6)7-2/h1H3.
What are the key properties of 2,5-dichloro-4-methyl-1,3-thiazole?
2,5-dichloro-4-methyl-1,3-thiazole has a molecular weight of 168.05 g/mol, XLogP of 2.76, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-4-methyl-1,3-thiazole is sourced from PubChem (CID 14338689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).