[3-methyl-2-(2-methylpropyl)-1,3-thiazolidin-4-yl]methanol

C9H19NOS — CID 72743970

IUPAC[3-methyl-2-(2-methylpropyl)-1,3-thiazolidin-4-yl]methanol
SMILESCC(C)CC1SCC(CO)N1C
InChIInChI=1S/C9H19NOS/c1-7(2)4-9-10(3)8(5-11)6-12-9/h7-9,11H,4-6H2,1-3H3
InChIKeyXMVMFLVWMLTMAO-UHFFFAOYSA-N
MW189.32 g/mol
LogP1.40
Rot. Bonds3

About [3-methyl-2-(2-methylpropyl)-1,3-thiazolidin-4-yl]methanol

[3-methyl-2-(2-methylpropyl)-1,3-thiazolidin-4-yl]methanol (PubChem CID 72743970) has the molecular formula C9H19NOS and a molecular weight of 189.32 g/mol. Its IUPAC name is [3-methyl-2-(2-methylpropyl)-1,3-thiazolidin-4-yl]methanol.

Molecular Properties

Compound Name[3-methyl-2-(2-methylpropyl)-1,3-thiazolidin-4-yl]methanol
PubChem CID72743970
Molecular FormulaC9H19NOS
Molecular Weight189.32 g/mol
Exact Mass189.12
IUPAC Name[3-methyl-2-(2-methylpropyl)-1,3-thiazolidin-4-yl]methanol
SMILESCC(C)CC1SCC(CO)N1C
InChIInChI=1S/C9H19NOS/c1-7(2)4-9-10(3)8(5-11)6-12-9/h7-9,11H,4-6H2,1-3H3
InChIKeyXMVMFLVWMLTMAO-UHFFFAOYSA-N
XLogP1.40
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.32
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4R)-4-(2-fluoroethylsulfanylmethyl)-1-methylpyrrolidin-3-ol
CID 140545342
(3S,4R)-1-ethyl-4-(2-fluoroethylsulfanylmethyl)pyrrolidin-3-ol
CID 145736765
[(4R)-3-methyl-2-(2-methylpropyl)-1,3-thiazolidin-4-yl]methanol
CID 15052279
(2,2,3-Trimethyl-1,3-thiazolidin-4-yl)methanol
CID 20699078
(2S)-1-(2-hydroxyethyl)-3-(3-hydroxy-2-methylpropyl)sulfanylpyrrolidin-2-ol
CID 122643737
(3R,4S)-1-methyl-4-(propylsulfanylmethyl)pyrrolidin-3-ol
CID 140507735
(3R,4S)-4-(butylsulfanylmethyl)-1-methylpyrrolidin-3-ol
CID 140507736
(3R,4S)-4-(ethylsulfanylmethyl)-1-methylpyrrolidin-3-ol
CID 140507737
(3R,4S)-1-methyl-4-(propan-2-ylsulfanylmethyl)pyrrolidin-3-ol
CID 140507742
(3S,4R)-4-(ethylsulfanylmethyl)-1-methylpyrrolidin-3-ol
CID 140545349
(3S,4R)-1-methyl-4-(propan-2-ylsulfanylmethyl)pyrrolidin-3-ol
CID 140545350
(3S,4R)-4-(butylsulfanylmethyl)-1-methylpyrrolidin-3-ol
CID 140545352

Frequently Asked Questions

What is the IUPAC name of [3-methyl-2-(2-methylpropyl)-1,3-thiazolidin-4-yl]methanol?
The IUPAC name of [3-methyl-2-(2-methylpropyl)-1,3-thiazolidin-4-yl]methanol (CID 72743970) is [3-methyl-2-(2-methylpropyl)-1,3-thiazolidin-4-yl]methanol.
What is the SMILES notation for [3-methyl-2-(2-methylpropyl)-1,3-thiazolidin-4-yl]methanol?
The canonical SMILES for [3-methyl-2-(2-methylpropyl)-1,3-thiazolidin-4-yl]methanol is CC(C)CC1SCC(CO)N1C.
What is the InChIKey of [3-methyl-2-(2-methylpropyl)-1,3-thiazolidin-4-yl]methanol?
The InChIKey is XMVMFLVWMLTMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NOS/c1-7(2)4-9-10(3)8(5-11)6-12-9/h7-9,11H,4-6H2,1-3H3.
What are the key properties of [3-methyl-2-(2-methylpropyl)-1,3-thiazolidin-4-yl]methanol?
[3-methyl-2-(2-methylpropyl)-1,3-thiazolidin-4-yl]methanol has a molecular weight of 189.32 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-2-(2-methylpropyl)-1,3-thiazolidin-4-yl]methanol is sourced from PubChem (CID 72743970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).