4-methyl-5-[2-(2-phenylsulfanylethoxy)ethyl]-1,3-thiazole

C14H17NOS2 — CID 79403461

IUPAC4-methyl-5-[2-(2-phenylsulfanylethoxy)ethyl]-1,3-thiazole
SMILESCc1ncsc1CCOCCSc1ccccc1
InChIInChI=1S/C14H17NOS2/c1-12-14(18-11-15-12)7-8-16-9-10-17-13-5-3-2-4-6-13/h2-6,11H,7-10H2,1H3
InChIKeyQQRYQKPPDLEEAW-UHFFFAOYSA-N
MW279.43 g/mol
LogP3.80
Rot. Bonds7

About 4-methyl-5-[2-(2-phenylsulfanylethoxy)ethyl]-1,3-thiazole

4-methyl-5-[2-(2-phenylsulfanylethoxy)ethyl]-1,3-thiazole (PubChem CID 79403461) has the molecular formula C14H17NOS2 and a molecular weight of 279.43 g/mol. Its IUPAC name is 4-methyl-5-[2-(2-phenylsulfanylethoxy)ethyl]-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-5-[2-(2-phenylsulfanylethoxy)ethyl]-1,3-thiazole
PubChem CID79403461
Molecular FormulaC14H17NOS2
Molecular Weight279.43 g/mol
Exact Mass279.08
IUPAC Name4-methyl-5-[2-(2-phenylsulfanylethoxy)ethyl]-1,3-thiazole
SMILESCc1ncsc1CCOCCSc1ccccc1
InChIInChI=1S/C14H17NOS2/c1-12-14(18-11-15-12)7-8-16-9-10-17-13-5-3-2-4-6-13/h2-6,11H,7-10H2,1H3
InChIKeyQQRYQKPPDLEEAW-UHFFFAOYSA-N
XLogP3.80
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methyl-5-[2-[6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]hexoxy]ethyl]-1,3-thiazole
CID 11474127
4-methyl-5-[2-[(E)-3-phenylprop-2-enoxy]ethyl]-1,3-thiazole
CID 21299291
2-[3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propoxy]aniline
CID 43174424
4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-1-phenylbutan-1-one
CID 62030778
2-[2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]ethoxy]benzoic acid
CID 43532271
3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propanenitrile
CID 24697504
O-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]hydroxylamine
CID 11228942
N-methyl-1-[3-[2-(4-methyl-1,3-thiazol-5-yl)ethylsulfanyl]phenyl]methanamine
CID 66347819
N-methyl-5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pentan-1-amine
CID 62443422
5-[2-[(6-chloro-2-pyridinyl)methoxy]ethyl]-4-methyl-1,3-thiazole
CID 79240432
3-[2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]phenyl]prop-2-enoic acid
CID 76908882
N-[[3-[2-(4-methyl-1,3-thiazol-5-yl)ethylsulfanyl]phenyl]methyl]cyclopropanamine
CID 66348869

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[2-(2-phenylsulfanylethoxy)ethyl]-1,3-thiazole?
The IUPAC name of 4-methyl-5-[2-(2-phenylsulfanylethoxy)ethyl]-1,3-thiazole (CID 79403461) is 4-methyl-5-[2-(2-phenylsulfanylethoxy)ethyl]-1,3-thiazole.
What is the SMILES notation for 4-methyl-5-[2-(2-phenylsulfanylethoxy)ethyl]-1,3-thiazole?
The canonical SMILES for 4-methyl-5-[2-(2-phenylsulfanylethoxy)ethyl]-1,3-thiazole is Cc1ncsc1CCOCCSc1ccccc1.
What is the InChIKey of 4-methyl-5-[2-(2-phenylsulfanylethoxy)ethyl]-1,3-thiazole?
The InChIKey is QQRYQKPPDLEEAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NOS2/c1-12-14(18-11-15-12)7-8-16-9-10-17-13-5-3-2-4-6-13/h2-6,11H,7-10H2,1H3.
What are the key properties of 4-methyl-5-[2-(2-phenylsulfanylethoxy)ethyl]-1,3-thiazole?
4-methyl-5-[2-(2-phenylsulfanylethoxy)ethyl]-1,3-thiazole has a molecular weight of 279.43 g/mol, XLogP of 3.80, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[2-(2-phenylsulfanylethoxy)ethyl]-1,3-thiazole is sourced from PubChem (CID 79403461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).