[4-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methylsulfanylmethyl]phenyl]methanol

C16H21NO2S2 — CID 110006841

IUPAC[4-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methylsulfanylmethyl]phenyl]methanol
SMILESCCOC(C)c1nc(CSCc2ccc(CO)cc2)cs1
InChIInChI=1S/C16H21NO2S2/c1-3-19-12(2)16-17-15(11-21-16)10-20-9-14-6-4-13(8-18)5-7-14/h4-7,11-12,18H,3,8-10H2,1-2H3
InChIKeySGFMEXQYQFPNOH-UHFFFAOYSA-N
MW323.48 g/mol
LogP4.17
Rot. Bonds8

About [4-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methylsulfanylmethyl]phenyl]methanol

[4-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methylsulfanylmethyl]phenyl]methanol (PubChem CID 110006841) has the molecular formula C16H21NO2S2 and a molecular weight of 323.48 g/mol. Its IUPAC name is [4-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methylsulfanylmethyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methylsulfanylmethyl]phenyl]methanol
PubChem CID110006841
Molecular FormulaC16H21NO2S2
Molecular Weight323.48 g/mol
Exact Mass323.10
IUPAC Name[4-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methylsulfanylmethyl]phenyl]methanol
SMILESCCOC(C)c1nc(CSCc2ccc(CO)cc2)cs1
InChIInChI=1S/C16H21NO2S2/c1-3-19-12(2)16-17-15(11-21-16)10-20-9-14-6-4-13(8-18)5-7-14/h4-7,11-12,18H,3,8-10H2,1-2H3
InChIKeySGFMEXQYQFPNOH-UHFFFAOYSA-N
XLogP4.17
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methylsulfanylmethyl]phenyl]methanol with MolForge

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Related Compounds

[2-(diethoxymethyl)-1,3-thiazol-4-yl]methanol
CID 66890594
methyl 2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]acetate
CID 78992497
[4-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methylsulfanylmethyl]phenyl]methanol
CID 110006833
1-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]ethanol
CID 64544933
2-(1-ethoxyethyl)-4-(7H-purin-6-ylsulfanylmethyl)-1,3-thiazole
CID 71999566
(2R)-2-amino-N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylpropanamide;dihydrochloride
CID 119895740
4-[[2-(difluoromethoxy)phenoxy]methyl]-2-(1-ethoxyethyl)-1,3-thiazole
CID 75372528
N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-6-fluoro-N-methylpyridine-3-carboxamide
CID 71987205
[4-(2-methylbutylsulfanylmethyl)phenyl]methanol
CID 103946497
4-ethyl-2-(1-methoxyethyl)-1,3-thiazole
CID 115680000
2-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 75467676
4-ethyl-2-[[4-(hydroxymethyl)phenyl]methylsulfanylmethyl]-1H-pyrimidin-6-one
CID 136794907

Frequently Asked Questions

What is the IUPAC name of [4-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methylsulfanylmethyl]phenyl]methanol?
The IUPAC name of [4-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methylsulfanylmethyl]phenyl]methanol (CID 110006841) is [4-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methylsulfanylmethyl]phenyl]methanol.
What is the SMILES notation for [4-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methylsulfanylmethyl]phenyl]methanol?
The canonical SMILES for [4-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methylsulfanylmethyl]phenyl]methanol is CCOC(C)c1nc(CSCc2ccc(CO)cc2)cs1.
What is the InChIKey of [4-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methylsulfanylmethyl]phenyl]methanol?
The InChIKey is SGFMEXQYQFPNOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2S2/c1-3-19-12(2)16-17-15(11-21-16)10-20-9-14-6-4-13(8-18)5-7-14/h4-7,11-12,18H,3,8-10H2,1-2H3.
What are the key properties of [4-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methylsulfanylmethyl]phenyl]methanol?
[4-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methylsulfanylmethyl]phenyl]methanol has a molecular weight of 323.48 g/mol, XLogP of 4.17, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methylsulfanylmethyl]phenyl]methanol is sourced from PubChem (CID 110006841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).