[2-(ethylsulfanylmethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol

C10H17NOS2 — CID 82434378

IUPAC[2-(ethylsulfanylmethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol
SMILESCCSCc1nc(C(C)C)c(CO)s1
InChIInChI=1S/C10H17NOS2/c1-4-13-6-9-11-10(7(2)3)8(5-12)14-9/h7,12H,4-6H2,1-3H3
InChIKeyKZEPEBXLKCSFAH-UHFFFAOYSA-N
MW231.39 g/mol
LogP3.01
Rot. Bonds5

About [2-(ethylsulfanylmethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol

[2-(ethylsulfanylmethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol (PubChem CID 82434378) has the molecular formula C10H17NOS2 and a molecular weight of 231.39 g/mol. Its IUPAC name is [2-(ethylsulfanylmethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-(ethylsulfanylmethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol
PubChem CID82434378
Molecular FormulaC10H17NOS2
Molecular Weight231.39 g/mol
Exact Mass231.08
IUPAC Name[2-(ethylsulfanylmethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol
SMILESCCSCc1nc(C(C)C)c(CO)s1
InChIInChI=1S/C10H17NOS2/c1-4-13-6-9-11-10(7(2)3)8(5-12)14-9/h7,12H,4-6H2,1-3H3
InChIKeyKZEPEBXLKCSFAH-UHFFFAOYSA-N
XLogP3.01
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.39
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(ethylsulfanylmethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-(ethylsulfanylmethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol (CID 82434378) is [2-(ethylsulfanylmethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-(ethylsulfanylmethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-(ethylsulfanylmethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol is CCSCc1nc(C(C)C)c(CO)s1.
What is the InChIKey of [2-(ethylsulfanylmethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol?
The InChIKey is KZEPEBXLKCSFAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NOS2/c1-4-13-6-9-11-10(7(2)3)8(5-12)14-9/h7,12H,4-6H2,1-3H3.
What are the key properties of [2-(ethylsulfanylmethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol?
[2-(ethylsulfanylmethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol has a molecular weight of 231.39 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethylsulfanylmethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 82434378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).