4-(4-propan-2-yl-1,3-thiazol-2-yl)butan-1-ol

C10H17NOS — CID 116968635

IUPAC4-(4-propan-2-yl-1,3-thiazol-2-yl)butan-1-ol
SMILESCC(C)c1csc(CCCCO)n1
InChIInChI=1S/C10H17NOS/c1-8(2)9-7-13-10(11-9)5-3-4-6-12/h7-8,12H,3-6H2,1-2H3
InChIKeyZWHVCKHLRCTMQZ-UHFFFAOYSA-N
MW199.32 g/mol
LogP2.58
Rot. Bonds5

About 4-(4-propan-2-yl-1,3-thiazol-2-yl)butan-1-ol

4-(4-propan-2-yl-1,3-thiazol-2-yl)butan-1-ol (PubChem CID 116968635) has the molecular formula C10H17NOS and a molecular weight of 199.32 g/mol. Its IUPAC name is 4-(4-propan-2-yl-1,3-thiazol-2-yl)butan-1-ol.

Molecular Properties

Compound Name4-(4-propan-2-yl-1,3-thiazol-2-yl)butan-1-ol
PubChem CID116968635
Molecular FormulaC10H17NOS
Molecular Weight199.32 g/mol
Exact Mass199.10
IUPAC Name4-(4-propan-2-yl-1,3-thiazol-2-yl)butan-1-ol
SMILESCC(C)c1csc(CCCCO)n1
InChIInChI=1S/C10H17NOS/c1-8(2)9-7-13-10(11-9)5-3-4-6-12/h7-8,12H,3-6H2,1-2H3
InChIKeyZWHVCKHLRCTMQZ-UHFFFAOYSA-N
XLogP2.58
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(4-propan-2-yl-1,3-thiazol-2-yl)methanol
CID 10678505
2-[4-(1-aminoethyl)-1,3-thiazol-2-yl]ethanol
CID 115087647
N'-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine
CID 82102841
2-(bromomethyl)-4-propan-2-yl-1,3-thiazole
CID 22063597
2-(fluoromethyl)-4-propan-2-yl-1,3-thiazole
CID 22949810
5-(4-bromo-1,3-thiazol-2-yl)pentan-1-ol
CID 86191561
2-(2-phenylethyl)-4-propan-2-yl-1,3-thiazole
CID 115618223
5-methyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)hexan-1-ol
CID 58499202
2,2-dimethyl-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]propanamide
CID 54773859
2-(4-propan-2-yl-1,3-thiazol-2-yl)acetonitrile
CID 43119799
N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]methanesulfonamide
CID 110441243
2-[(3,5-dimethylphenyl)methyl]-4-propan-2-yl-1,3-thiazole
CID 113415629

Frequently Asked Questions

What is the IUPAC name of 4-(4-propan-2-yl-1,3-thiazol-2-yl)butan-1-ol?
The IUPAC name of 4-(4-propan-2-yl-1,3-thiazol-2-yl)butan-1-ol (CID 116968635) is 4-(4-propan-2-yl-1,3-thiazol-2-yl)butan-1-ol.
What is the SMILES notation for 4-(4-propan-2-yl-1,3-thiazol-2-yl)butan-1-ol?
The canonical SMILES for 4-(4-propan-2-yl-1,3-thiazol-2-yl)butan-1-ol is CC(C)c1csc(CCCCO)n1.
What is the InChIKey of 4-(4-propan-2-yl-1,3-thiazol-2-yl)butan-1-ol?
The InChIKey is ZWHVCKHLRCTMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NOS/c1-8(2)9-7-13-10(11-9)5-3-4-6-12/h7-8,12H,3-6H2,1-2H3.
What are the key properties of 4-(4-propan-2-yl-1,3-thiazol-2-yl)butan-1-ol?
4-(4-propan-2-yl-1,3-thiazol-2-yl)butan-1-ol has a molecular weight of 199.32 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-propan-2-yl-1,3-thiazol-2-yl)butan-1-ol is sourced from PubChem (CID 116968635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).