2-methyl-1-(4-methyl-1,3-thiazol-2-yl)-1-phenylbuta-2,3-dien-1-ol

C15H15NOS — CID 11076105

IUPAC2-methyl-1-(4-methyl-1,3-thiazol-2-yl)-1-phenylbuta-2,3-dien-1-ol
SMILESC=C=C(C)C(O)(c1ccccc1)c1nc(C)cs1
InChIInChI=1S/C15H15NOS/c1-4-11(2)15(17,13-8-6-5-7-9-13)14-16-12(3)10-18-14/h5-10,17H,1H2,2-3H3
InChIKeyYDDAQMQYJCQATM-UHFFFAOYSA-N
MW257.36 g/mol
LogP3.42
Rot. Bonds3

About 2-methyl-1-(4-methyl-1,3-thiazol-2-yl)-1-phenylbuta-2,3-dien-1-ol

2-methyl-1-(4-methyl-1,3-thiazol-2-yl)-1-phenylbuta-2,3-dien-1-ol (PubChem CID 11076105) has the molecular formula C15H15NOS and a molecular weight of 257.36 g/mol. Its IUPAC name is 2-methyl-1-(4-methyl-1,3-thiazol-2-yl)-1-phenylbuta-2,3-dien-1-ol.

Molecular Properties

Compound Name2-methyl-1-(4-methyl-1,3-thiazol-2-yl)-1-phenylbuta-2,3-dien-1-ol
PubChem CID11076105
Molecular FormulaC15H15NOS
Molecular Weight257.36 g/mol
Exact Mass257.09
IUPAC Name2-methyl-1-(4-methyl-1,3-thiazol-2-yl)-1-phenylbuta-2,3-dien-1-ol
SMILESC=C=C(C)C(O)(c1ccccc1)c1nc(C)cs1
InChIInChI=1S/C15H15NOS/c1-4-11(2)15(17,13-8-6-5-7-9-13)14-16-12(3)10-18-14/h5-10,17H,1H2,2-3H3
InChIKeyYDDAQMQYJCQATM-UHFFFAOYSA-N
XLogP3.42
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-methyl-1,3-thiazol-2-yl)-1-phenylbuta-2,3-dien-1-ol?
The IUPAC name of 2-methyl-1-(4-methyl-1,3-thiazol-2-yl)-1-phenylbuta-2,3-dien-1-ol (CID 11076105) is 2-methyl-1-(4-methyl-1,3-thiazol-2-yl)-1-phenylbuta-2,3-dien-1-ol.
What is the SMILES notation for 2-methyl-1-(4-methyl-1,3-thiazol-2-yl)-1-phenylbuta-2,3-dien-1-ol?
The canonical SMILES for 2-methyl-1-(4-methyl-1,3-thiazol-2-yl)-1-phenylbuta-2,3-dien-1-ol is C=C=C(C)C(O)(c1ccccc1)c1nc(C)cs1.
What is the InChIKey of 2-methyl-1-(4-methyl-1,3-thiazol-2-yl)-1-phenylbuta-2,3-dien-1-ol?
The InChIKey is YDDAQMQYJCQATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NOS/c1-4-11(2)15(17,13-8-6-5-7-9-13)14-16-12(3)10-18-14/h5-10,17H,1H2,2-3H3.
What are the key properties of 2-methyl-1-(4-methyl-1,3-thiazol-2-yl)-1-phenylbuta-2,3-dien-1-ol?
2-methyl-1-(4-methyl-1,3-thiazol-2-yl)-1-phenylbuta-2,3-dien-1-ol has a molecular weight of 257.36 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-methyl-1,3-thiazol-2-yl)-1-phenylbuta-2,3-dien-1-ol is sourced from PubChem (CID 11076105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).