1-[4-methyl-2-[(2-methylphenyl)sulfanylmethyl]-1,3-thiazol-5-yl]ethanol

C14H17NOS2 — CID 66098660

IUPAC1-[4-methyl-2-[(2-methylphenyl)sulfanylmethyl]-1,3-thiazol-5-yl]ethanol
SMILESCc1ccccc1SCc1nc(C)c(C(C)O)s1
InChIInChI=1S/C14H17NOS2/c1-9-6-4-5-7-12(9)17-8-13-15-10(2)14(18-13)11(3)16/h4-7,11,16H,8H2,1-3H3
InChIKeyDXHPIOYUISOVKM-UHFFFAOYSA-N
MW279.43 g/mol
LogP4.11
Rot. Bonds4

About 1-[4-methyl-2-[(2-methylphenyl)sulfanylmethyl]-1,3-thiazol-5-yl]ethanol

1-[4-methyl-2-[(2-methylphenyl)sulfanylmethyl]-1,3-thiazol-5-yl]ethanol (PubChem CID 66098660) has the molecular formula C14H17NOS2 and a molecular weight of 279.43 g/mol. Its IUPAC name is 1-[4-methyl-2-[(2-methylphenyl)sulfanylmethyl]-1,3-thiazol-5-yl]ethanol.

Molecular Properties

Compound Name1-[4-methyl-2-[(2-methylphenyl)sulfanylmethyl]-1,3-thiazol-5-yl]ethanol
PubChem CID66098660
Molecular FormulaC14H17NOS2
Molecular Weight279.43 g/mol
Exact Mass279.08
IUPAC Name1-[4-methyl-2-[(2-methylphenyl)sulfanylmethyl]-1,3-thiazol-5-yl]ethanol
SMILESCc1ccccc1SCc1nc(C)c(C(C)O)s1
InChIInChI=1S/C14H17NOS2/c1-9-6-4-5-7-12(9)17-8-13-15-10(2)14(18-13)11(3)16/h4-7,11,16H,8H2,1-3H3
InChIKeyDXHPIOYUISOVKM-UHFFFAOYSA-N
XLogP4.11
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-methyl-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]ethanol
CID 62693449
2-chloro-5-[(2-methylphenyl)sulfanylmethyl]-1,3,4-thiadiazole
CID 80606445
1-[2-[(2-methylphenyl)sulfanylmethyl]-1,3-thiazol-4-yl]ethanamine
CID 66096565
1-[2-(2,2-dimethylpropyl)-4-methyl-1,3-thiazol-5-yl]ethanol
CID 63891102
3-[(2-methylphenyl)sulfanylmethyl]-1,2,4-thiadiazol-5-amine
CID 66094246
1-[4,6-dimethyl-2-[(2-methylphenyl)sulfanylmethyl]pyrimidin-5-yl]-N-methylmethanamine
CID 66096153
4-[(2-methylphenyl)sulfanylmethyl]-1,3-thiazole
CID 163560062
N-[1-[4-methyl-2-[(3-methylphenyl)sulfanylmethyl]-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 66088179
1-[2-[(4-bromophenyl)sulfanylmethyl]-4-methyl-1,3-thiazol-5-yl]-N-ethylethanamine
CID 66055519
N-methyl-2-[(2-methylphenyl)sulfanylmethyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 66096142
4,6-dichloro-2-[(2-methylphenyl)sulfanylmethyl]-5-propan-2-ylpyrimidine
CID 66094848
1-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanol
CID 54593693

Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-2-[(2-methylphenyl)sulfanylmethyl]-1,3-thiazol-5-yl]ethanol?
The IUPAC name of 1-[4-methyl-2-[(2-methylphenyl)sulfanylmethyl]-1,3-thiazol-5-yl]ethanol (CID 66098660) is 1-[4-methyl-2-[(2-methylphenyl)sulfanylmethyl]-1,3-thiazol-5-yl]ethanol.
What is the SMILES notation for 1-[4-methyl-2-[(2-methylphenyl)sulfanylmethyl]-1,3-thiazol-5-yl]ethanol?
The canonical SMILES for 1-[4-methyl-2-[(2-methylphenyl)sulfanylmethyl]-1,3-thiazol-5-yl]ethanol is Cc1ccccc1SCc1nc(C)c(C(C)O)s1.
What is the InChIKey of 1-[4-methyl-2-[(2-methylphenyl)sulfanylmethyl]-1,3-thiazol-5-yl]ethanol?
The InChIKey is DXHPIOYUISOVKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NOS2/c1-9-6-4-5-7-12(9)17-8-13-15-10(2)14(18-13)11(3)16/h4-7,11,16H,8H2,1-3H3.
What are the key properties of 1-[4-methyl-2-[(2-methylphenyl)sulfanylmethyl]-1,3-thiazol-5-yl]ethanol?
1-[4-methyl-2-[(2-methylphenyl)sulfanylmethyl]-1,3-thiazol-5-yl]ethanol has a molecular weight of 279.43 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-2-[(2-methylphenyl)sulfanylmethyl]-1,3-thiazol-5-yl]ethanol is sourced from PubChem (CID 66098660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).