3-[[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]amino]phenol

C10H12N2OS — CID 818363

IUPAC3-[[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]amino]phenol
SMILESC[C@H]1CN=C(Nc2cccc(O)c2)S1
InChIInChI=1S/C10H12N2OS/c1-7-6-11-10(14-7)12-8-3-2-4-9(13)5-8/h2-5,7,13H,6H2,1H3,(H,11,12)/t7-/m0/s1
InChIKeyWAICHRCMCQSSEP-ZETCQYMHSA-N
MW208.29 g/mol
LogP2.30
Rot. Bonds1

About 3-[[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]amino]phenol

3-[[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]amino]phenol (PubChem CID 818363) has the molecular formula C10H12N2OS and a molecular weight of 208.29 g/mol. Its IUPAC name is 3-[[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]amino]phenol.

Molecular Properties

Compound Name3-[[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]amino]phenol
PubChem CID818363
Molecular FormulaC10H12N2OS
Molecular Weight208.29 g/mol
Exact Mass208.07
IUPAC Name3-[[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]amino]phenol
SMILESC[C@H]1CN=C(Nc2cccc(O)c2)S1
InChIInChI=1S/C10H12N2OS/c1-7-6-11-10(14-7)12-8-3-2-4-9(13)5-8/h2-5,7,13H,6H2,1H3,(H,11,12)/t7-/m0/s1
InChIKeyWAICHRCMCQSSEP-ZETCQYMHSA-N
XLogP2.30
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]amino]phenol with MolForge

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Related Compounds

N-(3-methoxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 3228495
3-[(4,5-Dihydro-1H-imidazol-2-ylmethyl)-amino]-phenol
CID 12774559
Carbamothioic acid, (3-hydroxyphenyl)-, S-methyl ester
CID 29878
3-[(5-Methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]phenol
CID 3515862
4-[(5-Methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]phenol
CID 16762657
N-(3-hydroxyphenyl)-2-[(4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[d]pyrimidin-2-yl)thio]acetamide
CID 135546883
N-(3-methoxyphenyl)-4,4-dimethyl-4,5-dihydro-1,3-thiazol-2-amine
CID 2346406
4-[(5,5-dimethyl-4H-1,3-thiazol-2-yl)amino]phenol
CID 44183860
(4E)-4-[(3-hydroxyphenyl)imino]-1,3-thiazolidin-2-one
CID 135411567
S-{2-[(3-hydroxyphenyl)amino]-2-oxoethyl} carbamothioate
CID 224658
S-ethyl N-(3-hydroxyphenyl)carbamothioate
CID 312541
2-(3-Hydroxy-phenyl)imino-thiazolidin-4-one
CID 135439019

Frequently Asked Questions

What is the IUPAC name of 3-[[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]amino]phenol?
The IUPAC name of 3-[[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]amino]phenol (CID 818363) is 3-[[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]amino]phenol.
What is the SMILES notation for 3-[[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]amino]phenol?
The canonical SMILES for 3-[[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]amino]phenol is C[C@H]1CN=C(Nc2cccc(O)c2)S1.
What is the InChIKey of 3-[[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]amino]phenol?
The InChIKey is WAICHRCMCQSSEP-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H12N2OS/c1-7-6-11-10(14-7)12-8-3-2-4-9(13)5-8/h2-5,7,13H,6H2,1H3,(H,11,12)/t7-/m0/s1.
What are the key properties of 3-[[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]amino]phenol?
3-[[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]amino]phenol has a molecular weight of 208.29 g/mol, XLogP of 2.30, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]amino]phenol is sourced from PubChem (CID 818363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).