[4-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]phenyl]methanol

C13H16N2OS — CID 63837123

IUPAC[4-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]phenyl]methanol
SMILESCc1ncsc1CN(C)c1ccc(CO)cc1
InChIInChI=1S/C13H16N2OS/c1-10-13(17-9-14-10)7-15(2)12-5-3-11(8-16)4-6-12/h3-6,9,16H,7-8H2,1-2H3
InChIKeyRYEIKIIWAAZCDD-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.58
Rot. Bonds4

About [4-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]phenyl]methanol

[4-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]phenyl]methanol (PubChem CID 63837123) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is [4-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]phenyl]methanol.

Molecular Properties

Compound Name[4-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]phenyl]methanol
PubChem CID63837123
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name[4-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]phenyl]methanol
SMILESCc1ncsc1CN(C)c1ccc(CO)cc1
InChIInChI=1S/C13H16N2OS/c1-10-13(17-9-14-10)7-15(2)12-5-3-11(8-16)4-6-12/h3-6,9,16H,7-8H2,1-2H3
InChIKeyRYEIKIIWAAZCDD-UHFFFAOYSA-N
XLogP2.58
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-[4-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]phenyl]propan-1-one
CID 114065834
3-N-methyl-3-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzene-1,3-diamine
CID 63842762
5-(aminomethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridin-2-amine
CID 63842233
1-[2-bromo-4-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]phenyl]ethanone
CID 114068684
6-[(1S)-1-aminoethyl]-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridin-3-amine
CID 83127064
4-(aminomethyl)-3-fluoro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 115366884
N,3-dimethyl-4-(methylaminomethyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 63837321
[1-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]isoquinolin-3-yl]methanol
CID 63837159
3-iodo-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-nitroaniline
CID 113233630
1-(4-bromophenyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 55262163
2-[1-(ethylamino)ethyl]-5-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]phenol
CID 79591229
6-[1-(ethylamino)ethyl]-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridin-3-amine
CID 83127304

Frequently Asked Questions

What is the IUPAC name of [4-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]phenyl]methanol?
The IUPAC name of [4-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]phenyl]methanol (CID 63837123) is [4-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]phenyl]methanol.
What is the SMILES notation for [4-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]phenyl]methanol?
The canonical SMILES for [4-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]phenyl]methanol is Cc1ncsc1CN(C)c1ccc(CO)cc1.
What is the InChIKey of [4-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]phenyl]methanol?
The InChIKey is RYEIKIIWAAZCDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-10-13(17-9-14-10)7-15(2)12-5-3-11(8-16)4-6-12/h3-6,9,16H,7-8H2,1-2H3.
What are the key properties of [4-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]phenyl]methanol?
[4-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]phenyl]methanol has a molecular weight of 248.35 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]phenyl]methanol is sourced from PubChem (CID 63837123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).