2-(3,3-dimethylbutyl)-5-(2-methylpropyl)-1,3-thiazole

C13H23NS — CID 170239107

IUPAC2-(3,3-dimethylbutyl)-5-(2-methylpropyl)-1,3-thiazole
SMILESCC(C)Cc1cnc(CCC(C)(C)C)s1
InChIInChI=1S/C13H23NS/c1-10(2)8-11-9-14-12(15-11)6-7-13(3,4)5/h9-10H,6-8H2,1-5H3
InChIKeyMTLQQDSTBYXQQC-UHFFFAOYSA-N
MW225.40 g/mol
LogP4.32
Rot. Bonds4

About 2-(3,3-dimethylbutyl)-5-(2-methylpropyl)-1,3-thiazole

2-(3,3-dimethylbutyl)-5-(2-methylpropyl)-1,3-thiazole (PubChem CID 170239107) has the molecular formula C13H23NS and a molecular weight of 225.40 g/mol. Its IUPAC name is 2-(3,3-dimethylbutyl)-5-(2-methylpropyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(3,3-dimethylbutyl)-5-(2-methylpropyl)-1,3-thiazole
PubChem CID170239107
Molecular FormulaC13H23NS
Molecular Weight225.40 g/mol
Exact Mass225.16
IUPAC Name2-(3,3-dimethylbutyl)-5-(2-methylpropyl)-1,3-thiazole
SMILESCC(C)Cc1cnc(CCC(C)(C)C)s1
InChIInChI=1S/C13H23NS/c1-10(2)8-11-9-14-12(15-11)6-7-13(3,4)5/h9-10H,6-8H2,1-5H3
InChIKeyMTLQQDSTBYXQQC-UHFFFAOYSA-N
XLogP4.32
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.40
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylbutyl)-5-(2-methylpropyl)-1,3-thiazole?
The IUPAC name of 2-(3,3-dimethylbutyl)-5-(2-methylpropyl)-1,3-thiazole (CID 170239107) is 2-(3,3-dimethylbutyl)-5-(2-methylpropyl)-1,3-thiazole.
What is the SMILES notation for 2-(3,3-dimethylbutyl)-5-(2-methylpropyl)-1,3-thiazole?
The canonical SMILES for 2-(3,3-dimethylbutyl)-5-(2-methylpropyl)-1,3-thiazole is CC(C)Cc1cnc(CCC(C)(C)C)s1.
What is the InChIKey of 2-(3,3-dimethylbutyl)-5-(2-methylpropyl)-1,3-thiazole?
The InChIKey is MTLQQDSTBYXQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NS/c1-10(2)8-11-9-14-12(15-11)6-7-13(3,4)5/h9-10H,6-8H2,1-5H3.
What are the key properties of 2-(3,3-dimethylbutyl)-5-(2-methylpropyl)-1,3-thiazole?
2-(3,3-dimethylbutyl)-5-(2-methylpropyl)-1,3-thiazole has a molecular weight of 225.40 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylbutyl)-5-(2-methylpropyl)-1,3-thiazole is sourced from PubChem (CID 170239107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).