2-(4-ethylsulfanylphenyl)-5-propan-2-yl-1,3-thiazole

C14H17NS2 — CID 106850212

IUPAC2-(4-ethylsulfanylphenyl)-5-propan-2-yl-1,3-thiazole
SMILESCCSc1ccc(-c2ncc(C(C)C)s2)cc1
InChIInChI=1S/C14H17NS2/c1-4-16-12-7-5-11(6-8-12)14-15-9-13(17-14)10(2)3/h5-10H,4H2,1-3H3
InChIKeyZZRYCBKFGJBVJV-UHFFFAOYSA-N
MW263.43 g/mol
LogP5.05
Rot. Bonds4

About 2-(4-ethylsulfanylphenyl)-5-propan-2-yl-1,3-thiazole

2-(4-ethylsulfanylphenyl)-5-propan-2-yl-1,3-thiazole (PubChem CID 106850212) has the molecular formula C14H17NS2 and a molecular weight of 263.43 g/mol. Its IUPAC name is 2-(4-ethylsulfanylphenyl)-5-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name2-(4-ethylsulfanylphenyl)-5-propan-2-yl-1,3-thiazole
PubChem CID106850212
Molecular FormulaC14H17NS2
Molecular Weight263.43 g/mol
Exact Mass263.08
IUPAC Name2-(4-ethylsulfanylphenyl)-5-propan-2-yl-1,3-thiazole
SMILESCCSc1ccc(-c2ncc(C(C)C)s2)cc1
InChIInChI=1S/C14H17NS2/c1-4-16-12-7-5-11(6-8-12)14-15-9-13(17-14)10(2)3/h5-10H,4H2,1-3H3
InChIKeyZZRYCBKFGJBVJV-UHFFFAOYSA-N
XLogP5.05
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500263.43
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Phenylthiazole
CID 547494
(2-Phenyl-1,3-thiazol-5-yl)methanamine
CID 595758
5-Phenylthiazole
CID 595209
(2-Phenyl-1,3-thiazol-5-yl)methanamine hydrochloride
CID 2932203
5-Methyl-2-phenyl-1,3-thiazole
CID 551875
5-Bromo-2-phenyl-1,3-thiazole
CID 13546649
5-[(5-Methyl-3-pyridinyl)methyl]-2-phenyl-1,3-thiazole
CID 137638612
2,5-Diphenylthiazole
CID 3014233
Thiazolium, 2-(p-(dimethylamino)phenyl)-3-methyl-, iodide
CID 209189
(NE)-N-[1-(2-phenyl-1,3-thiazol-5-yl)ethylidene]hydroxylamine
CID 5902953
5-Methylsulfanyl-4-(5-phenyl-thiazol-2-yl)-thiophene-2-carboxamidine
CID 44334157
Dimethyl-[2-(5-phenyl-thiazol-2-ylsulfanyl)-ethyl]-amine
CID 44374227

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylsulfanylphenyl)-5-propan-2-yl-1,3-thiazole?
The IUPAC name of 2-(4-ethylsulfanylphenyl)-5-propan-2-yl-1,3-thiazole (CID 106850212) is 2-(4-ethylsulfanylphenyl)-5-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 2-(4-ethylsulfanylphenyl)-5-propan-2-yl-1,3-thiazole?
The canonical SMILES for 2-(4-ethylsulfanylphenyl)-5-propan-2-yl-1,3-thiazole is CCSc1ccc(-c2ncc(C(C)C)s2)cc1.
What is the InChIKey of 2-(4-ethylsulfanylphenyl)-5-propan-2-yl-1,3-thiazole?
The InChIKey is ZZRYCBKFGJBVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NS2/c1-4-16-12-7-5-11(6-8-12)14-15-9-13(17-14)10(2)3/h5-10H,4H2,1-3H3.
What are the key properties of 2-(4-ethylsulfanylphenyl)-5-propan-2-yl-1,3-thiazole?
2-(4-ethylsulfanylphenyl)-5-propan-2-yl-1,3-thiazole has a molecular weight of 263.43 g/mol, XLogP of 5.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylsulfanylphenyl)-5-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 106850212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).