2-chloro-4-(2,5-dimethylphenyl)-5-ethyl-1,3-thiazole

C13H14ClNS — CID 131866691

IUPAC2-chloro-4-(2,5-dimethylphenyl)-5-ethyl-1,3-thiazole
SMILESCCc1sc(Cl)nc1-c1cc(C)ccc1C
InChIInChI=1S/C13H14ClNS/c1-4-11-12(15-13(14)16-11)10-7-8(2)5-6-9(10)3/h5-7H,4H2,1-3H3
InChIKeyAMKDWWSKRDURHY-UHFFFAOYSA-N
MW251.78 g/mol
LogP4.64
Rot. Bonds2

About 2-chloro-4-(2,5-dimethylphenyl)-5-ethyl-1,3-thiazole

2-chloro-4-(2,5-dimethylphenyl)-5-ethyl-1,3-thiazole (PubChem CID 131866691) has the molecular formula C13H14ClNS and a molecular weight of 251.78 g/mol. Its IUPAC name is 2-chloro-4-(2,5-dimethylphenyl)-5-ethyl-1,3-thiazole.

Molecular Properties

Compound Name2-chloro-4-(2,5-dimethylphenyl)-5-ethyl-1,3-thiazole
PubChem CID131866691
Molecular FormulaC13H14ClNS
Molecular Weight251.78 g/mol
Exact Mass251.05
IUPAC Name2-chloro-4-(2,5-dimethylphenyl)-5-ethyl-1,3-thiazole
SMILESCCc1sc(Cl)nc1-c1cc(C)ccc1C
InChIInChI=1S/C13H14ClNS/c1-4-11-12(15-13(14)16-11)10-7-8(2)5-6-9(10)3/h5-7H,4H2,1-3H3
InChIKeyAMKDWWSKRDURHY-UHFFFAOYSA-N
XLogP4.64
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.78
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(dimethylamino)-4-(2,5-dimethylphenyl)-1,3-thiazol-5-yl]methanol
CID 131867522
3,5-dichloro-6-(2,5-dimethylphenyl)-N-ethylpyridin-2-amine
CID 102753209
2-[4-(2,5-dimethylphenyl)-2-methyl-1,3-thiazol-5-yl]acetic acid
CID 2236513
4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-amine
CID 842777
5-(chloromethyl)-4-(2,5-dimethylphenyl)-2-pyridin-2-yl-1,3-thiazole
CID 28709994
2-(aminomethyl)-4-(2,5-dimethylphenyl)-1,3-thiazole-5-carbonitrile
CID 82478203
4-(2,5-dimethylphenyl)-N,5-dimethyl-1,3-thiazol-2-amine
CID 8963113
5-bromo-4-chloro-2-(2,5-dimethylphenyl)-6-ethylpyrimidine
CID 66313424
6-(2,5-dimethylphenyl)-2-ethyl-5-methyl-N-propylpyrimidin-4-amine
CID 80977653
3-tert-butyl-5-(2,5-dimethylphenyl)-2-ethylimidazol-4-amine
CID 62219728
4-(2,4-dichlorophenyl)-5-ethyl-1,3-thiazol-2-amine
CID 28864557
2-(2,4-dimethylphenyl)-5-ethylthiophene
CID 167264133

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2,5-dimethylphenyl)-5-ethyl-1,3-thiazole?
The IUPAC name of 2-chloro-4-(2,5-dimethylphenyl)-5-ethyl-1,3-thiazole (CID 131866691) is 2-chloro-4-(2,5-dimethylphenyl)-5-ethyl-1,3-thiazole.
What is the SMILES notation for 2-chloro-4-(2,5-dimethylphenyl)-5-ethyl-1,3-thiazole?
The canonical SMILES for 2-chloro-4-(2,5-dimethylphenyl)-5-ethyl-1,3-thiazole is CCc1sc(Cl)nc1-c1cc(C)ccc1C.
What is the InChIKey of 2-chloro-4-(2,5-dimethylphenyl)-5-ethyl-1,3-thiazole?
The InChIKey is AMKDWWSKRDURHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNS/c1-4-11-12(15-13(14)16-11)10-7-8(2)5-6-9(10)3/h5-7H,4H2,1-3H3.
What are the key properties of 2-chloro-4-(2,5-dimethylphenyl)-5-ethyl-1,3-thiazole?
2-chloro-4-(2,5-dimethylphenyl)-5-ethyl-1,3-thiazole has a molecular weight of 251.78 g/mol, XLogP of 4.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2,5-dimethylphenyl)-5-ethyl-1,3-thiazole is sourced from PubChem (CID 131866691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).