2-[(4-cyclobutyl-1,3-thiazol-2-yl)methyl]-3-methylbutan-1-ol

C13H21NOS — CID 116969693

IUPAC2-[(4-cyclobutyl-1,3-thiazol-2-yl)methyl]-3-methylbutan-1-ol
SMILESCC(C)C(CO)Cc1nc(C2CCC2)cs1
InChIInChI=1S/C13H21NOS/c1-9(2)11(7-15)6-13-14-12(8-16-13)10-4-3-5-10/h8-11,15H,3-7H2,1-2H3
InChIKeyAHMBBLGXDTUQTD-UHFFFAOYSA-N
MW239.38 g/mol
LogP3.22
Rot. Bonds5

About 2-[(4-cyclobutyl-1,3-thiazol-2-yl)methyl]-3-methylbutan-1-ol

2-[(4-cyclobutyl-1,3-thiazol-2-yl)methyl]-3-methylbutan-1-ol (PubChem CID 116969693) has the molecular formula C13H21NOS and a molecular weight of 239.38 g/mol. Its IUPAC name is 2-[(4-cyclobutyl-1,3-thiazol-2-yl)methyl]-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-[(4-cyclobutyl-1,3-thiazol-2-yl)methyl]-3-methylbutan-1-ol
PubChem CID116969693
Molecular FormulaC13H21NOS
Molecular Weight239.38 g/mol
Exact Mass239.13
IUPAC Name2-[(4-cyclobutyl-1,3-thiazol-2-yl)methyl]-3-methylbutan-1-ol
SMILESCC(C)C(CO)Cc1nc(C2CCC2)cs1
InChIInChI=1S/C13H21NOS/c1-9(2)11(7-15)6-13-14-12(8-16-13)10-4-3-5-10/h8-11,15H,3-7H2,1-2H3
InChIKeyAHMBBLGXDTUQTD-UHFFFAOYSA-N
XLogP3.22
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-cyclobutyl-1,3-thiazol-2-yl)acetonitrile
CID 116966310
3-methyl-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]butan-1-ol
CID 116969681
2-amino-3-[4-(oxan-4-yl)-1,3-thiazol-2-yl]propan-1-ol
CID 116969214
3-(4-cyclohexyl-1,3-thiazol-2-yl)-2-(methylamino)propanoic acid
CID 116969836
3-methyl-2-[[4-(oxan-4-yl)-1,3-thiazol-2-yl]methyl]butanenitrile
CID 116969790
2-(2-chloroethyl)-4-cyclobutyl-1,3-thiazole
CID 116965575
2-amino-2-(4-cyclopentyl-1,3-thiazol-2-yl)ethanol
CID 116966791
4-(4-cyclohexyl-1,3-thiazol-2-yl)butan-1-ol
CID 116968668
1-[4-(1-methylpiperidin-4-yl)-1,3-thiazol-2-yl]propan-2-amine
CID 116964946
3-methyl-2-[[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]methyl]butan-1-ol
CID 116969683
4-cyclobutyl-2-propan-2-yl-1,3-thiazole
CID 126992198
2-(bromomethyl)-4-cyclopentyl-1,3-thiazole
CID 116970375

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyclobutyl-1,3-thiazol-2-yl)methyl]-3-methylbutan-1-ol?
The IUPAC name of 2-[(4-cyclobutyl-1,3-thiazol-2-yl)methyl]-3-methylbutan-1-ol (CID 116969693) is 2-[(4-cyclobutyl-1,3-thiazol-2-yl)methyl]-3-methylbutan-1-ol.
What is the SMILES notation for 2-[(4-cyclobutyl-1,3-thiazol-2-yl)methyl]-3-methylbutan-1-ol?
The canonical SMILES for 2-[(4-cyclobutyl-1,3-thiazol-2-yl)methyl]-3-methylbutan-1-ol is CC(C)C(CO)Cc1nc(C2CCC2)cs1.
What is the InChIKey of 2-[(4-cyclobutyl-1,3-thiazol-2-yl)methyl]-3-methylbutan-1-ol?
The InChIKey is AHMBBLGXDTUQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOS/c1-9(2)11(7-15)6-13-14-12(8-16-13)10-4-3-5-10/h8-11,15H,3-7H2,1-2H3.
What are the key properties of 2-[(4-cyclobutyl-1,3-thiazol-2-yl)methyl]-3-methylbutan-1-ol?
2-[(4-cyclobutyl-1,3-thiazol-2-yl)methyl]-3-methylbutan-1-ol has a molecular weight of 239.38 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyclobutyl-1,3-thiazol-2-yl)methyl]-3-methylbutan-1-ol is sourced from PubChem (CID 116969693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).