4,4-dimethyl-2-(3-propan-2-yloxyphenyl)-1,3-thiazolidine

C14H21NOS — CID 66230382

IUPAC4,4-dimethyl-2-(3-propan-2-yloxyphenyl)-1,3-thiazolidine
SMILESCC(C)Oc1cccc(C2NC(C)(C)CS2)c1
InChIInChI=1S/C14H21NOS/c1-10(2)16-12-7-5-6-11(8-12)13-15-14(3,4)9-17-13/h5-8,10,13,15H,9H2,1-4H3
InChIKeyQMKBEZFGLRCUMZ-UHFFFAOYSA-N
MW251.40 g/mol
LogP3.59
Rot. Bonds3

About 4,4-dimethyl-2-(3-propan-2-yloxyphenyl)-1,3-thiazolidine

4,4-dimethyl-2-(3-propan-2-yloxyphenyl)-1,3-thiazolidine (PubChem CID 66230382) has the molecular formula C14H21NOS and a molecular weight of 251.40 g/mol. Its IUPAC name is 4,4-dimethyl-2-(3-propan-2-yloxyphenyl)-1,3-thiazolidine.

Molecular Properties

Compound Name4,4-dimethyl-2-(3-propan-2-yloxyphenyl)-1,3-thiazolidine
PubChem CID66230382
Molecular FormulaC14H21NOS
Molecular Weight251.40 g/mol
Exact Mass251.13
IUPAC Name4,4-dimethyl-2-(3-propan-2-yloxyphenyl)-1,3-thiazolidine
SMILESCC(C)Oc1cccc(C2NC(C)(C)CS2)c1
InChIInChI=1S/C14H21NOS/c1-10(2)16-12-7-5-6-11(8-12)13-15-14(3,4)9-17-13/h5-8,10,13,15H,9H2,1-4H3
InChIKeyQMKBEZFGLRCUMZ-UHFFFAOYSA-N
XLogP3.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.40
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-(3-propan-2-yloxyphenyl)-1,3-thiazolidine?
The IUPAC name of 4,4-dimethyl-2-(3-propan-2-yloxyphenyl)-1,3-thiazolidine (CID 66230382) is 4,4-dimethyl-2-(3-propan-2-yloxyphenyl)-1,3-thiazolidine.
What is the SMILES notation for 4,4-dimethyl-2-(3-propan-2-yloxyphenyl)-1,3-thiazolidine?
The canonical SMILES for 4,4-dimethyl-2-(3-propan-2-yloxyphenyl)-1,3-thiazolidine is CC(C)Oc1cccc(C2NC(C)(C)CS2)c1.
What is the InChIKey of 4,4-dimethyl-2-(3-propan-2-yloxyphenyl)-1,3-thiazolidine?
The InChIKey is QMKBEZFGLRCUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOS/c1-10(2)16-12-7-5-6-11(8-12)13-15-14(3,4)9-17-13/h5-8,10,13,15H,9H2,1-4H3.
What are the key properties of 4,4-dimethyl-2-(3-propan-2-yloxyphenyl)-1,3-thiazolidine?
4,4-dimethyl-2-(3-propan-2-yloxyphenyl)-1,3-thiazolidine has a molecular weight of 251.40 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-(3-propan-2-yloxyphenyl)-1,3-thiazolidine is sourced from PubChem (CID 66230382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).