4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)phenol;hydrochloride

C10H12ClNOS — CID 135539590

IUPAC4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)phenol;hydrochloride
SMILESCC1CN=C(c2ccc(O)cc2)S1.Cl
InChIInChI=1S/C10H11NOS.ClH/c1-7-6-11-10(13-7)8-2-4-9(12)5-3-8;/h2-5,7,12H,6H2,1H3;1H
InChIKeyFSVQQPNIRZHENK-UHFFFAOYSA-N
MW229.73 g/mol
LogP2.70
Rot. Bonds1

About 4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)phenol;hydrochloride

4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)phenol;hydrochloride (PubChem CID 135539590) has the molecular formula C10H12ClNOS and a molecular weight of 229.73 g/mol. Its IUPAC name is 4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)phenol;hydrochloride.

Molecular Properties

Compound Name4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)phenol;hydrochloride
PubChem CID135539590
Molecular FormulaC10H12ClNOS
Molecular Weight229.73 g/mol
Exact Mass229.03
IUPAC Name4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)phenol;hydrochloride
SMILESCC1CN=C(c2ccc(O)cc2)S1.Cl
InChIInChI=1S/C10H11NOS.ClH/c1-7-6-11-10(13-7)8-2-4-9(12)5-3-8;/h2-5,7,12H,6H2,1H3;1H
InChIKeyFSVQQPNIRZHENK-UHFFFAOYSA-N
XLogP2.70
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.73
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Pulicatin A
CID 136020617
Pulicatin B
CID 136020618
Aerugine
CID 136030596
Thiazole, 4,5-dihydro-2-(4-methoxyphenyl)-
CID 200689
Benzyl 4-hydroxybenzenecarboximidothioate
CID 137647470
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
4-[(Propylimino)methyl]benzenol
CID 3609105
Phenol, p-(N-methylformimidoyl)-
CID 201277
2-[4-(Hydroxymethyl)-4,5-dihydro-1,3-thiazol-2-yl]phenol
CID 135798388
5-(4-Hydroxyphenyl)-3-propyl-1,3,4-thiadiazole-2-thione
CID 135971432
2-[(3aR,6aS)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]thiazol-2-yl]phenol
CID 145965034

Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)phenol;hydrochloride?
The IUPAC name of 4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)phenol;hydrochloride (CID 135539590) is 4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)phenol;hydrochloride.
What is the SMILES notation for 4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)phenol;hydrochloride?
The canonical SMILES for 4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)phenol;hydrochloride is CC1CN=C(c2ccc(O)cc2)S1.Cl.
What is the InChIKey of 4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)phenol;hydrochloride?
The InChIKey is FSVQQPNIRZHENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NOS.ClH/c1-7-6-11-10(13-7)8-2-4-9(12)5-3-8;/h2-5,7,12H,6H2,1H3;1H.
What are the key properties of 4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)phenol;hydrochloride?
4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)phenol;hydrochloride has a molecular weight of 229.73 g/mol, XLogP of 2.70, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)phenol;hydrochloride is sourced from PubChem (CID 135539590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).