4,4-dimethyl-2-(3-methylbutan-2-yl)-1,3-thiazolidine

C10H21NS — CID 126996533

IUPAC4,4-dimethyl-2-(3-methylbutan-2-yl)-1,3-thiazolidine
SMILESCC(C)C(C)C1NC(C)(C)CS1
InChIInChI=1S/C10H21NS/c1-7(2)8(3)9-11-10(4,5)6-12-9/h7-9,11H,6H2,1-5H3
InChIKeyXFTKYMWDPAIXIB-UHFFFAOYSA-N
MW187.35 g/mol
LogP2.72
Rot. Bonds2

About 4,4-dimethyl-2-(3-methylbutan-2-yl)-1,3-thiazolidine

4,4-dimethyl-2-(3-methylbutan-2-yl)-1,3-thiazolidine (PubChem CID 126996533) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is 4,4-dimethyl-2-(3-methylbutan-2-yl)-1,3-thiazolidine.

Molecular Properties

Compound Name4,4-dimethyl-2-(3-methylbutan-2-yl)-1,3-thiazolidine
PubChem CID126996533
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC Name4,4-dimethyl-2-(3-methylbutan-2-yl)-1,3-thiazolidine
SMILESCC(C)C(C)C1NC(C)(C)CS1
InChIInChI=1S/C10H21NS/c1-7(2)8(3)9-11-10(4,5)6-12-9/h7-9,11H,6H2,1-5H3
InChIKeyXFTKYMWDPAIXIB-UHFFFAOYSA-N
XLogP2.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.35
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-3,4a,5,7,8,8a-hexahydro-1H-thiopyrano[3,4-b][1,4]thiazine 6,6-dioxide
CID 66228290
3-cyclopropyl-2,5,5-trimethylthiomorpholine
CID 66231329
2-(3,5-difluorophenyl)-4,4-dimethyl-1,3-thiazolidine
CID 106531979
2-heptyl-4,4-dimethyl-1,3-thiazolidine
CID 66229686
4,4-dimethyl-2-(2-methylthiolan-2-yl)-1,3-thiazolidine
CID 130917975
1,1-dimethyl-2-(3-methylbutan-2-yl)cyclopropane
CID 91430882
4,4-dimethyl-2-(3-propan-2-yloxyphenyl)-1,3-thiazolidine
CID 66230382
2-(3,4-dimethylphenyl)-4,4-dimethyl-1,3-thiazolidine
CID 66227818
5,5-dimethyl-2-propan-2-yl-1,3-thiazolidine
CID 15751859
5-cyclobutyl-3,3-dimethylthiomorpholine
CID 126985980
4,4-dimethyl-2-(3-methylphenyl)-1,3-thiazolidine
CID 66230622
2-(2,5-dichlorothiophen-3-yl)-4,4-dimethyl-1,3-thiazolidine
CID 131186053

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-(3-methylbutan-2-yl)-1,3-thiazolidine?
The IUPAC name of 4,4-dimethyl-2-(3-methylbutan-2-yl)-1,3-thiazolidine (CID 126996533) is 4,4-dimethyl-2-(3-methylbutan-2-yl)-1,3-thiazolidine.
What is the SMILES notation for 4,4-dimethyl-2-(3-methylbutan-2-yl)-1,3-thiazolidine?
The canonical SMILES for 4,4-dimethyl-2-(3-methylbutan-2-yl)-1,3-thiazolidine is CC(C)C(C)C1NC(C)(C)CS1.
What is the InChIKey of 4,4-dimethyl-2-(3-methylbutan-2-yl)-1,3-thiazolidine?
The InChIKey is XFTKYMWDPAIXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NS/c1-7(2)8(3)9-11-10(4,5)6-12-9/h7-9,11H,6H2,1-5H3.
What are the key properties of 4,4-dimethyl-2-(3-methylbutan-2-yl)-1,3-thiazolidine?
4,4-dimethyl-2-(3-methylbutan-2-yl)-1,3-thiazolidine has a molecular weight of 187.35 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-(3-methylbutan-2-yl)-1,3-thiazolidine is sourced from PubChem (CID 126996533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).