2-propan-2-ylfuran;4-propan-2-yl-1,3-thiazole

C13H19NOS — CID 157413823

IUPAC2-propan-2-ylfuran;4-propan-2-yl-1,3-thiazole
SMILESCC(C)c1ccco1.CC(C)c1cscn1
InChIInChI=1S/C7H10O.C6H9NS/c1-6(2)7-4-3-5-8-7;1-5(2)6-3-8-4-7-6/h3-6H,1-2H3;3-5H,1-2H3
InChIKeyBOPICYXZQWVPRW-UHFFFAOYSA-N
MW237.37 g/mol
LogP4.67
Rot. Bonds2

About 2-propan-2-ylfuran;4-propan-2-yl-1,3-thiazole

2-propan-2-ylfuran;4-propan-2-yl-1,3-thiazole (PubChem CID 157413823) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is 2-propan-2-ylfuran;4-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name2-propan-2-ylfuran;4-propan-2-yl-1,3-thiazole
PubChem CID157413823
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC Name2-propan-2-ylfuran;4-propan-2-yl-1,3-thiazole
SMILESCC(C)c1ccco1.CC(C)c1cscn1
InChIInChI=1S/C7H10O.C6H9NS/c1-6(2)7-4-3-5-8-7;1-5(2)6-3-8-4-7-6/h3-6H,1-2H3;3-5H,1-2H3
InChIKeyBOPICYXZQWVPRW-UHFFFAOYSA-N
XLogP4.67
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-propan-2-ylfuran;4-propan-2-yl-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-dimethyl-1-propan-2-ylbenzene;(2-methyl-6-propan-2-ylphenyl)methanol;2-propan-2-ylfuran;4-propan-2-yl-1,3-thiazole
CID 167539210
(1R)-1-(furan-2-yl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 81401203
1-(furan-2-yl)-2-(2-methylpropoxy)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 119106924
4-(3,3-dimethylbutan-2-yl)-1,3-thiazole
CID 58051737
N-methyl-1-(1,3-thiazol-4-yl)ethanamine
CID 46784246
(1S)-2-methyl-1-(1,3-thiazol-4-yl)propan-1-amine
CID 82416070
4-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;4-propan-2-yl-1,3-thiazole
CID 165104210
2-propan-2-ylaniline;2-propan-2-ylfuran
CID 158742039
ethane;2-propan-2-ylfuran;3-propan-2-ylfuran
CID 157401311
N-[1-(1,3-thiazol-4-yl)ethyl]propan-2-amine
CID 46784250
2-[1-bromo-1-(furan-2-yl)propan-2-yl]pyridine
CID 66452265
N-benzhydryl-1-(1,3-thiazol-4-yl)ethanamine
CID 115878793

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylfuran;4-propan-2-yl-1,3-thiazole?
The IUPAC name of 2-propan-2-ylfuran;4-propan-2-yl-1,3-thiazole (CID 157413823) is 2-propan-2-ylfuran;4-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 2-propan-2-ylfuran;4-propan-2-yl-1,3-thiazole?
The canonical SMILES for 2-propan-2-ylfuran;4-propan-2-yl-1,3-thiazole is CC(C)c1ccco1.CC(C)c1cscn1.
What is the InChIKey of 2-propan-2-ylfuran;4-propan-2-yl-1,3-thiazole?
The InChIKey is BOPICYXZQWVPRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O.C6H9NS/c1-6(2)7-4-3-5-8-7;1-5(2)6-3-8-4-7-6/h3-6H,1-2H3;3-5H,1-2H3.
What are the key properties of 2-propan-2-ylfuran;4-propan-2-yl-1,3-thiazole?
2-propan-2-ylfuran;4-propan-2-yl-1,3-thiazole has a molecular weight of 237.37 g/mol, XLogP of 4.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylfuran;4-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 157413823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).