4-(2,2-dimethylpropyl)-3-(2-methylpropyl)-1,2-thiazole

C12H21NS — CID 58157889

IUPAC4-(2,2-dimethylpropyl)-3-(2-methylpropyl)-1,2-thiazole
SMILESCC(C)Cc1nscc1CC(C)(C)C
InChIInChI=1S/C12H21NS/c1-9(2)6-11-10(8-14-13-11)7-12(3,4)5/h8-9H,6-7H2,1-5H3
InChIKeyNSXRKTQGGGAHKH-UHFFFAOYSA-N
MW211.37 g/mol
LogP3.93
Rot. Bonds3

About 4-(2,2-dimethylpropyl)-3-(2-methylpropyl)-1,2-thiazole

4-(2,2-dimethylpropyl)-3-(2-methylpropyl)-1,2-thiazole (PubChem CID 58157889) has the molecular formula C12H21NS and a molecular weight of 211.37 g/mol. Its IUPAC name is 4-(2,2-dimethylpropyl)-3-(2-methylpropyl)-1,2-thiazole.

Molecular Properties

Compound Name4-(2,2-dimethylpropyl)-3-(2-methylpropyl)-1,2-thiazole
PubChem CID58157889
Molecular FormulaC12H21NS
Molecular Weight211.37 g/mol
Exact Mass211.14
IUPAC Name4-(2,2-dimethylpropyl)-3-(2-methylpropyl)-1,2-thiazole
SMILESCC(C)Cc1nscc1CC(C)(C)C
InChIInChI=1S/C12H21NS/c1-9(2)6-11-10(8-14-13-11)7-12(3,4)5/h8-9H,6-7H2,1-5H3
InChIKeyNSXRKTQGGGAHKH-UHFFFAOYSA-N
XLogP3.93
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.37
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropyl)-3-(2-methylpropyl)-1,2-thiazole?
The IUPAC name of 4-(2,2-dimethylpropyl)-3-(2-methylpropyl)-1,2-thiazole (CID 58157889) is 4-(2,2-dimethylpropyl)-3-(2-methylpropyl)-1,2-thiazole.
What is the SMILES notation for 4-(2,2-dimethylpropyl)-3-(2-methylpropyl)-1,2-thiazole?
The canonical SMILES for 4-(2,2-dimethylpropyl)-3-(2-methylpropyl)-1,2-thiazole is CC(C)Cc1nscc1CC(C)(C)C.
What is the InChIKey of 4-(2,2-dimethylpropyl)-3-(2-methylpropyl)-1,2-thiazole?
The InChIKey is NSXRKTQGGGAHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NS/c1-9(2)6-11-10(8-14-13-11)7-12(3,4)5/h8-9H,6-7H2,1-5H3.
What are the key properties of 4-(2,2-dimethylpropyl)-3-(2-methylpropyl)-1,2-thiazole?
4-(2,2-dimethylpropyl)-3-(2-methylpropyl)-1,2-thiazole has a molecular weight of 211.37 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropyl)-3-(2-methylpropyl)-1,2-thiazole is sourced from PubChem (CID 58157889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).