4-(2,2-dimethylpropyl)-5-propan-2-yl-1,3-thiazole

C11H19NS — CID 171539042

IUPAC4-(2,2-dimethylpropyl)-5-propan-2-yl-1,3-thiazole
SMILESCC(C)c1scnc1CC(C)(C)C
InChIInChI=1S/C11H19NS/c1-8(2)10-9(12-7-13-10)6-11(3,4)5/h7-8H,6H2,1-5H3
InChIKeyOKABURNPHIQLBT-UHFFFAOYSA-N
MW197.35 g/mol
LogP3.86
Rot. Bonds2

About 4-(2,2-dimethylpropyl)-5-propan-2-yl-1,3-thiazole

4-(2,2-dimethylpropyl)-5-propan-2-yl-1,3-thiazole (PubChem CID 171539042) has the molecular formula C11H19NS and a molecular weight of 197.35 g/mol. Its IUPAC name is 4-(2,2-dimethylpropyl)-5-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name4-(2,2-dimethylpropyl)-5-propan-2-yl-1,3-thiazole
PubChem CID171539042
Molecular FormulaC11H19NS
Molecular Weight197.35 g/mol
Exact Mass197.12
IUPAC Name4-(2,2-dimethylpropyl)-5-propan-2-yl-1,3-thiazole
SMILESCC(C)c1scnc1CC(C)(C)C
InChIInChI=1S/C11H19NS/c1-8(2)10-9(12-7-13-10)6-11(3,4)5/h7-8H,6H2,1-5H3
InChIKeyOKABURNPHIQLBT-UHFFFAOYSA-N
XLogP3.86
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.35
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-tert-butyl-1,3-thiazol-5-yl)ethanamine
CID 82438233
1-(5-bromo-1,3-thiazol-4-yl)-2-methylpropan-2-amine
CID 23553551
5-(2,2-dimethylpropyl)-3-propan-2-yl-1H-pyrazole
CID 59743848
4-(2,2-dimethylpropyl)-7-methyl-1,3-benzothiazole
CID 91353241
4-(5-propan-2-yl-1,3-thiazol-4-yl)phenol
CID 105474603
N,4,4-trimethyl-1-(4-methyl-1,3-thiazol-5-yl)pentan-1-amine
CID 105140195
2,3,3-trimethyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]butan-1-amine
CID 81338939
2-(4-propan-2-yl-1,3-thiazol-5-yl)propan-2-ol
CID 82433495
[4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
CID 82503234
7-(2,2-dimethylpropyl)-[1,3]thiazolo[4,5-c]pyridine
CID 175626724
2-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]-5-propan-2-ylpyridine
CID 90268917
4-(2,2-dimethylpropyl)-7-propan-2-yl-[1,3]oxazolo[4,5-d]pyridazine
CID 91522280

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropyl)-5-propan-2-yl-1,3-thiazole?
The IUPAC name of 4-(2,2-dimethylpropyl)-5-propan-2-yl-1,3-thiazole (CID 171539042) is 4-(2,2-dimethylpropyl)-5-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 4-(2,2-dimethylpropyl)-5-propan-2-yl-1,3-thiazole?
The canonical SMILES for 4-(2,2-dimethylpropyl)-5-propan-2-yl-1,3-thiazole is CC(C)c1scnc1CC(C)(C)C.
What is the InChIKey of 4-(2,2-dimethylpropyl)-5-propan-2-yl-1,3-thiazole?
The InChIKey is OKABURNPHIQLBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NS/c1-8(2)10-9(12-7-13-10)6-11(3,4)5/h7-8H,6H2,1-5H3.
What are the key properties of 4-(2,2-dimethylpropyl)-5-propan-2-yl-1,3-thiazole?
4-(2,2-dimethylpropyl)-5-propan-2-yl-1,3-thiazole has a molecular weight of 197.35 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropyl)-5-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 171539042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).