2-(4-ethylphenyl)-4-(ethylsulfanylmethyl)-1,3-thiazole

C14H17NS2 — CID 145363293

IUPAC2-(4-ethylphenyl)-4-(ethylsulfanylmethyl)-1,3-thiazole
SMILESCCSCc1csc(-c2ccc(CC)cc2)n1
InChIInChI=1S/C14H17NS2/c1-3-11-5-7-12(8-6-11)14-15-13(10-17-14)9-16-4-2/h5-8,10H,3-4,9H2,1-2H3
InChIKeyLTHSYEGRUZYQKR-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.63
Rot. Bonds5

About 2-(4-ethylphenyl)-4-(ethylsulfanylmethyl)-1,3-thiazole

2-(4-ethylphenyl)-4-(ethylsulfanylmethyl)-1,3-thiazole (PubChem CID 145363293) has the molecular formula C14H17NS2 and a molecular weight of 263.43 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-4-(ethylsulfanylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(4-ethylphenyl)-4-(ethylsulfanylmethyl)-1,3-thiazole
PubChem CID145363293
Molecular FormulaC14H17NS2
Molecular Weight263.43 g/mol
Exact Mass263.08
IUPAC Name2-(4-ethylphenyl)-4-(ethylsulfanylmethyl)-1,3-thiazole
SMILESCCSCc1csc(-c2ccc(CC)cc2)n1
InChIInChI=1S/C14H17NS2/c1-3-11-5-7-12(8-6-11)14-15-13(10-17-14)9-16-4-2/h5-8,10H,3-4,9H2,1-2H3
InChIKeyLTHSYEGRUZYQKR-UHFFFAOYSA-N
XLogP4.63
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-chloroethyl)-2-(4-ethylphenyl)-1,3-thiazole
CID 82087844
2-(4-ethylphenyl)-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazole
CID 8565023
2-(4-ethylphenyl)-4-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]-1,3-thiazole
CID 78797805
(2S,3S)-1,4-bis[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]butane-2,3-diol
CID 98082805
2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetic acid;hydrochloride
CID 18593828
4-ethyl-2-phenyl-1,3-thiazole
CID 5324799
ethane;4-ethyl-2-phenyl-1,3-thiazole
CID 91427044
4-ethyl-2-phenyl-1,3-thiazole;dihydrochloride
CID 118514483
2-(4-ethylphenyl)-4-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazole
CID 46516089
4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-2-(4-methylphenyl)-1,3-thiazole
CID 19727730
2-(4-methylphenyl)-4-propyl-1,3-thiazole
CID 115641441
2-(4-ethylphenyl)-1,3-thiazole-4-carboxylic acid
CID 4962607

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-4-(ethylsulfanylmethyl)-1,3-thiazole?
The IUPAC name of 2-(4-ethylphenyl)-4-(ethylsulfanylmethyl)-1,3-thiazole (CID 145363293) is 2-(4-ethylphenyl)-4-(ethylsulfanylmethyl)-1,3-thiazole.
What is the SMILES notation for 2-(4-ethylphenyl)-4-(ethylsulfanylmethyl)-1,3-thiazole?
The canonical SMILES for 2-(4-ethylphenyl)-4-(ethylsulfanylmethyl)-1,3-thiazole is CCSCc1csc(-c2ccc(CC)cc2)n1.
What is the InChIKey of 2-(4-ethylphenyl)-4-(ethylsulfanylmethyl)-1,3-thiazole?
The InChIKey is LTHSYEGRUZYQKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NS2/c1-3-11-5-7-12(8-6-11)14-15-13(10-17-14)9-16-4-2/h5-8,10H,3-4,9H2,1-2H3.
What are the key properties of 2-(4-ethylphenyl)-4-(ethylsulfanylmethyl)-1,3-thiazole?
2-(4-ethylphenyl)-4-(ethylsulfanylmethyl)-1,3-thiazole has a molecular weight of 263.43 g/mol, XLogP of 4.63, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-4-(ethylsulfanylmethyl)-1,3-thiazole is sourced from PubChem (CID 145363293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).