4-methyl-1-(2-methyl-1,3-thiazol-4-yl)pent-4-en-1-ol

C10H15NOS — CID 105127443

IUPAC4-methyl-1-(2-methyl-1,3-thiazol-4-yl)pent-4-en-1-ol
SMILESC=C(C)CCC(O)c1csc(C)n1
InChIInChI=1S/C10H15NOS/c1-7(2)4-5-10(12)9-6-13-8(3)11-9/h6,10,12H,1,4-5H2,2-3H3
InChIKeyOEYKRDFPVLVDHD-UHFFFAOYSA-N
MW197.30 g/mol
LogP2.84
Rot. Bonds4

About 4-methyl-1-(2-methyl-1,3-thiazol-4-yl)pent-4-en-1-ol

4-methyl-1-(2-methyl-1,3-thiazol-4-yl)pent-4-en-1-ol (PubChem CID 105127443) has the molecular formula C10H15NOS and a molecular weight of 197.30 g/mol. Its IUPAC name is 4-methyl-1-(2-methyl-1,3-thiazol-4-yl)pent-4-en-1-ol.

Molecular Properties

Compound Name4-methyl-1-(2-methyl-1,3-thiazol-4-yl)pent-4-en-1-ol
PubChem CID105127443
Molecular FormulaC10H15NOS
Molecular Weight197.30 g/mol
Exact Mass197.09
IUPAC Name4-methyl-1-(2-methyl-1,3-thiazol-4-yl)pent-4-en-1-ol
SMILESC=C(C)CCC(O)c1csc(C)n1
InChIInChI=1S/C10H15NOS/c1-7(2)4-5-10(12)9-6-13-8(3)11-9/h6,10,12H,1,4-5H2,2-3H3
InChIKeyOEYKRDFPVLVDHD-UHFFFAOYSA-N
XLogP2.84
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(2-methyl-1,3-thiazol-4-yl)pent-4-en-1-ol?
The IUPAC name of 4-methyl-1-(2-methyl-1,3-thiazol-4-yl)pent-4-en-1-ol (CID 105127443) is 4-methyl-1-(2-methyl-1,3-thiazol-4-yl)pent-4-en-1-ol.
What is the SMILES notation for 4-methyl-1-(2-methyl-1,3-thiazol-4-yl)pent-4-en-1-ol?
The canonical SMILES for 4-methyl-1-(2-methyl-1,3-thiazol-4-yl)pent-4-en-1-ol is C=C(C)CCC(O)c1csc(C)n1.
What is the InChIKey of 4-methyl-1-(2-methyl-1,3-thiazol-4-yl)pent-4-en-1-ol?
The InChIKey is OEYKRDFPVLVDHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NOS/c1-7(2)4-5-10(12)9-6-13-8(3)11-9/h6,10,12H,1,4-5H2,2-3H3.
What are the key properties of 4-methyl-1-(2-methyl-1,3-thiazol-4-yl)pent-4-en-1-ol?
4-methyl-1-(2-methyl-1,3-thiazol-4-yl)pent-4-en-1-ol has a molecular weight of 197.30 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(2-methyl-1,3-thiazol-4-yl)pent-4-en-1-ol is sourced from PubChem (CID 105127443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).