4-cyclobutyl-2-propan-2-yl-1,3-thiazole

C10H15NS — CID 126992198

IUPAC4-cyclobutyl-2-propan-2-yl-1,3-thiazole
SMILESCC(C)c1nc(C2CCC2)cs1
InChIInChI=1S/C10H15NS/c1-7(2)10-11-9(6-12-10)8-4-3-5-8/h6-8H,3-5H2,1-2H3
InChIKeyNBJMZSYIBLEHHY-UHFFFAOYSA-N
MW181.30 g/mol
LogP3.53
Rot. Bonds2

About 4-cyclobutyl-2-propan-2-yl-1,3-thiazole

4-cyclobutyl-2-propan-2-yl-1,3-thiazole (PubChem CID 126992198) has the molecular formula C10H15NS and a molecular weight of 181.30 g/mol. Its IUPAC name is 4-cyclobutyl-2-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name4-cyclobutyl-2-propan-2-yl-1,3-thiazole
PubChem CID126992198
Molecular FormulaC10H15NS
Molecular Weight181.30 g/mol
Exact Mass181.09
IUPAC Name4-cyclobutyl-2-propan-2-yl-1,3-thiazole
SMILESCC(C)c1nc(C2CCC2)cs1
InChIInChI=1S/C10H15NS/c1-7(2)10-11-9(6-12-10)8-4-3-5-8/h6-8H,3-5H2,1-2H3
InChIKeyNBJMZSYIBLEHHY-UHFFFAOYSA-N
XLogP3.53
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.30
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-cyclopentyl-1,3-thiazol-2-yl)ethanol
CID 63379753
2-(4-cyclobutyl-1,3-thiazol-2-yl)-3-methylbutan-1-amine
CID 116967390
2-propan-2-yl-4-[(2R)-pyrrolidin-2-yl]-1,3-thiazole
CID 96858276
2-(4-cyclobutyl-1,3-thiazol-2-yl)-N-methylbutan-1-amine
CID 116967565
2,4-di(cyclobutyl)-1,3-thiazole
CID 130688661
4-cyclohexyl-2-(2-methyl-1-piperidin-4-ylpropyl)-1,3-thiazole
CID 69303483
2-(4-cyclohexyl-1,3-thiazol-2-yl)butan-1-ol
CID 116967273
2-amino-2-(4-cyclopentyl-1,3-thiazol-2-yl)ethanol
CID 116966791
(4-cyclohexyl-1,3-thiazol-2-yl)-phenylmethanol
CID 63346475
2-[(4-cyclobutyl-1,3-thiazol-2-yl)methyl]-3-methylbutan-1-ol
CID 116969693
2-(2-propan-2-yl-1,3-thiazol-4-yl)morpholine
CID 82660630
1-[4-(oxolan-3-yl)-1,3-thiazol-2-yl]ethanamine
CID 104749797

Frequently Asked Questions

What is the IUPAC name of 4-cyclobutyl-2-propan-2-yl-1,3-thiazole?
The IUPAC name of 4-cyclobutyl-2-propan-2-yl-1,3-thiazole (CID 126992198) is 4-cyclobutyl-2-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 4-cyclobutyl-2-propan-2-yl-1,3-thiazole?
The canonical SMILES for 4-cyclobutyl-2-propan-2-yl-1,3-thiazole is CC(C)c1nc(C2CCC2)cs1.
What is the InChIKey of 4-cyclobutyl-2-propan-2-yl-1,3-thiazole?
The InChIKey is NBJMZSYIBLEHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NS/c1-7(2)10-11-9(6-12-10)8-4-3-5-8/h6-8H,3-5H2,1-2H3.
What are the key properties of 4-cyclobutyl-2-propan-2-yl-1,3-thiazole?
4-cyclobutyl-2-propan-2-yl-1,3-thiazole has a molecular weight of 181.30 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclobutyl-2-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 126992198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).