2-chloro-4,5-dimethyl-1,3-thiazole

C5H6ClNS — CID 14276898

IUPAC2-chloro-4,5-dimethyl-1,3-thiazole
SMILESCc1nc(Cl)sc1C
InChIInChI=1S/C5H6ClNS/c1-3-4(2)8-5(6)7-3/h1-2H3
InChIKeyUTMPHXLKDRAIDK-UHFFFAOYSA-N
MW147.63 g/mol
LogP2.41
Rot. Bonds

About 2-chloro-4,5-dimethyl-1,3-thiazole

2-chloro-4,5-dimethyl-1,3-thiazole (PubChem CID 14276898) has the molecular formula C5H6ClNS and a molecular weight of 147.63 g/mol. Its IUPAC name is 2-chloro-4,5-dimethyl-1,3-thiazole.

Molecular Properties

Compound Name2-chloro-4,5-dimethyl-1,3-thiazole
PubChem CID14276898
Molecular FormulaC5H6ClNS
Molecular Weight147.63 g/mol
Exact Mass146.99
IUPAC Name2-chloro-4,5-dimethyl-1,3-thiazole
SMILESCc1nc(Cl)sc1C
InChIInChI=1S/C5H6ClNS/c1-3-4(2)8-5(6)7-3/h1-2H3
InChIKeyUTMPHXLKDRAIDK-UHFFFAOYSA-N
XLogP2.41
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.63
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,4,5-Trimethylthiazole
CID 61653
2-Isopropyl-4,5-dimethylthiazole
CID 40787
4,5-Dimethylthiazole
CID 62510
2-Ethyl-4,5-dimethylthiazole
CID 522877
4,5-Dimethyl-2-isobutylthiazole
CID 104513
4,5-Dimethyl-2-propylthiazole
CID 521080
2-Butyl-4,5-dimethylthiazole
CID 53517
2-Bromo-4,5-dimethylthiazole
CID 9942366
5-(Chloromethyl)-2,4-dimethyl-1,3-thiazole
CID 15023058
4,5-Dimethyl-2-(tributylstannyl)-1,3-thiazole
CID 16427140
2-Iodo-4,5-dimethyl-1,3-thiazole
CID 21100233
5-(Chloromethyl)-2-methyl-4-(trifluoromethyl)-1,3-thiazole
CID 27088992

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,5-dimethyl-1,3-thiazole?
The IUPAC name of 2-chloro-4,5-dimethyl-1,3-thiazole (CID 14276898) is 2-chloro-4,5-dimethyl-1,3-thiazole.
What is the SMILES notation for 2-chloro-4,5-dimethyl-1,3-thiazole?
The canonical SMILES for 2-chloro-4,5-dimethyl-1,3-thiazole is Cc1nc(Cl)sc1C.
What is the InChIKey of 2-chloro-4,5-dimethyl-1,3-thiazole?
The InChIKey is UTMPHXLKDRAIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6ClNS/c1-3-4(2)8-5(6)7-3/h1-2H3.
What are the key properties of 2-chloro-4,5-dimethyl-1,3-thiazole?
2-chloro-4,5-dimethyl-1,3-thiazole has a molecular weight of 147.63 g/mol, XLogP of 2.41, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,5-dimethyl-1,3-thiazole is sourced from PubChem (CID 14276898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).