2-(4,5-dimethyl-4,5-dihydro-1,3-thiazol-2-yl)phenol

C11H13NOS — CID 137160529

IUPAC2-(4,5-dimethyl-4,5-dihydro-1,3-thiazol-2-yl)phenol
SMILESCC1N=C(c2ccccc2O)SC1C
InChIInChI=1S/C11H13NOS/c1-7-8(2)14-11(12-7)9-5-3-4-6-10(9)13/h3-8,13H,1-2H3
InChIKeyWUHNEYDQEXCUBJ-UHFFFAOYSA-N
MW207.30 g/mol
LogP2.66
Rot. Bonds1

About 2-(4,5-dimethyl-4,5-dihydro-1,3-thiazol-2-yl)phenol

2-(4,5-dimethyl-4,5-dihydro-1,3-thiazol-2-yl)phenol (PubChem CID 137160529) has the molecular formula C11H13NOS and a molecular weight of 207.30 g/mol. Its IUPAC name is 2-(4,5-dimethyl-4,5-dihydro-1,3-thiazol-2-yl)phenol.

Molecular Properties

Compound Name2-(4,5-dimethyl-4,5-dihydro-1,3-thiazol-2-yl)phenol
PubChem CID137160529
Molecular FormulaC11H13NOS
Molecular Weight207.30 g/mol
Exact Mass207.07
IUPAC Name2-(4,5-dimethyl-4,5-dihydro-1,3-thiazol-2-yl)phenol
SMILESCC1N=C(c2ccccc2O)SC1C
InChIInChI=1S/C11H13NOS/c1-7-8(2)14-11(12-7)9-5-3-4-6-10(9)13/h3-8,13H,1-2H3
InChIKeyWUHNEYDQEXCUBJ-UHFFFAOYSA-N
XLogP2.66
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Pulicatin A
CID 136020617
Pulicatin B
CID 136020618
4,5-Dihydro-2-(2-hydroxyphenyl)-4-thiazolecarboxylic acid
CID 98430
Pulicatins G
CID 136030693
(4R)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
CID 135404232
Aerugine
CID 136030596
(4S)-2-(2-Hydroxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
CID 135482070
(4S)-2-(3-Hydroxy-6-oxocyclohexa-2,4-dien-1-ylidene)-1,3-thiazolidine-4-carboxylic acid
CID 135428666
2-[(4R,5R)-4-(hydroxymethyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]phenol
CID 145967771
2-[(4S,5R)-4-(hydroxymethyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]phenol
CID 145974750
2-{5-[(Z)-Cyclohexylimino]-4-methyl-4,5-dihydro-[1,3,4]thiadiazol-2-yl}-phenol
CID 135856794
4-Methylaeruginoic acid
CID 135505743

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethyl-4,5-dihydro-1,3-thiazol-2-yl)phenol?
The IUPAC name of 2-(4,5-dimethyl-4,5-dihydro-1,3-thiazol-2-yl)phenol (CID 137160529) is 2-(4,5-dimethyl-4,5-dihydro-1,3-thiazol-2-yl)phenol.
What is the SMILES notation for 2-(4,5-dimethyl-4,5-dihydro-1,3-thiazol-2-yl)phenol?
The canonical SMILES for 2-(4,5-dimethyl-4,5-dihydro-1,3-thiazol-2-yl)phenol is CC1N=C(c2ccccc2O)SC1C.
What is the InChIKey of 2-(4,5-dimethyl-4,5-dihydro-1,3-thiazol-2-yl)phenol?
The InChIKey is WUHNEYDQEXCUBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NOS/c1-7-8(2)14-11(12-7)9-5-3-4-6-10(9)13/h3-8,13H,1-2H3.
What are the key properties of 2-(4,5-dimethyl-4,5-dihydro-1,3-thiazol-2-yl)phenol?
2-(4,5-dimethyl-4,5-dihydro-1,3-thiazol-2-yl)phenol has a molecular weight of 207.30 g/mol, XLogP of 2.66, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethyl-4,5-dihydro-1,3-thiazol-2-yl)phenol is sourced from PubChem (CID 137160529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).