4-(2,2-dimethylpropyl)-2-(furan-3-yl)-1,3-thiazole

C12H15NOS — CID 166559603

IUPAC4-(2,2-dimethylpropyl)-2-(furan-3-yl)-1,3-thiazole
SMILESCC(C)(C)Cc1csc(-c2ccoc2)n1
InChIInChI=1S/C12H15NOS/c1-12(2,3)6-10-8-15-11(13-10)9-4-5-14-7-9/h4-5,7-8H,6H2,1-3H3
InChIKeyQKQNTPHSXWEYMY-UHFFFAOYSA-N
MW221.33 g/mol
LogP3.99
Rot. Bonds2

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

4-(2,2-dimethylpropyl)-2-(furan-3-yl)-1,3-thiazole (PubChem CID 166559603) has the molecular formula C12H15NOS and a molecular weight of 221.33 g/mol. Its IUPAC name is 4-(2,2-dimethylpropyl)-2-(furan-3-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-(2,2-dimethylpropyl)-2-(furan-3-yl)-1,3-thiazole
PubChem CID166559603
Molecular FormulaC12H15NOS
Molecular Weight221.33 g/mol
Exact Mass221.09
IUPAC Name4-(2,2-dimethylpropyl)-2-(furan-3-yl)-1,3-thiazole
SMILESCC(C)(C)Cc1csc(-c2ccoc2)n1
InChIInChI=1S/C12H15NOS/c1-12(2,3)6-10-8-15-11(13-10)9-4-5-14-7-9/h4-5,7-8H,6H2,1-3H3
InChIKeyQKQNTPHSXWEYMY-UHFFFAOYSA-N
XLogP3.99
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-[2-(furan-3-yl)-1,3-thiazol-4-yl]acetyl]amino]-2,2-dimethylpropanoic acid
CID 119249390
2-[2-(furan-3-yl)-1,3-thiazol-4-yl]-N-(2-hydroxy-2,3-dimethylbutyl)acetamide
CID 111484065
1-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]-2-methylpiperidin-3-one
CID 166256430
2-(furan-3-yl)-N-(2-hydroxy-2-methylpropyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 111543370
2-[2-(furan-3-yl)-1,3-thiazol-4-yl]-N-[2-(methylamino)ethyl]acetamide
CID 119502086
[4-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methylsulfanylmethyl]phenyl]methanol
CID 110006833
N-(1-amino-2,4-dimethylpentan-2-yl)-2-[2-(furan-3-yl)-1,3-thiazol-4-yl]acetamide
CID 119598856
N-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]-N-methyl-1-pyridin-4-ylethanamine
CID 126768185
2-(furan-3-yl)-4-[(5-propyltetrazol-1-yl)methyl]-1,3-thiazole
CID 75462976
4-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methylsulfanyl]butanenitrile
CID 99832043
N-[2-(ethylamino)ethyl]-2-[2-(furan-3-yl)-1,3-thiazol-4-yl]acetamide
CID 119506982
1-cyclopropyl-2-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl-methylamino]ethanol
CID 111858753

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropyl)-2-(furan-3-yl)-1,3-thiazole?
The IUPAC name of 4-(2,2-dimethylpropyl)-2-(furan-3-yl)-1,3-thiazole (CID 166559603) is 4-(2,2-dimethylpropyl)-2-(furan-3-yl)-1,3-thiazole.
What is the SMILES notation for 4-(2,2-dimethylpropyl)-2-(furan-3-yl)-1,3-thiazole?
The canonical SMILES for 4-(2,2-dimethylpropyl)-2-(furan-3-yl)-1,3-thiazole is CC(C)(C)Cc1csc(-c2ccoc2)n1.
What is the InChIKey of 4-(2,2-dimethylpropyl)-2-(furan-3-yl)-1,3-thiazole?
The InChIKey is QKQNTPHSXWEYMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NOS/c1-12(2,3)6-10-8-15-11(13-10)9-4-5-14-7-9/h4-5,7-8H,6H2,1-3H3.
What are the key properties of 4-(2,2-dimethylpropyl)-2-(furan-3-yl)-1,3-thiazole?
4-(2,2-dimethylpropyl)-2-(furan-3-yl)-1,3-thiazole has a molecular weight of 221.33 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropyl)-2-(furan-3-yl)-1,3-thiazole is sourced from PubChem (CID 166559603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).