[3-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methylamino]phenyl]methanol

C15H14N2OS2 — CID 99791904

IUPAC[3-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methylamino]phenyl]methanol
SMILESOCc1cccc(NCc2cnc(-c3cccs3)s2)c1
InChIInChI=1S/C15H14N2OS2/c18-10-11-3-1-4-12(7-11)16-8-13-9-17-15(20-13)14-5-2-6-19-14/h1-7,9,16,18H,8,10H2
InChIKeyCZNSVDAJQIXCDP-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.98
Rot. Bonds5

About [3-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methylamino]phenyl]methanol

[3-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methylamino]phenyl]methanol (PubChem CID 99791904) has the molecular formula C15H14N2OS2 and a molecular weight of 302.42 g/mol. Its IUPAC name is [3-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methylamino]phenyl]methanol.

Molecular Properties

Compound Name[3-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methylamino]phenyl]methanol
PubChem CID99791904
Molecular FormulaC15H14N2OS2
Molecular Weight302.42 g/mol
Exact Mass302.05
IUPAC Name[3-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methylamino]phenyl]methanol
SMILESOCc1cccc(NCc2cnc(-c3cccs3)s2)c1
InChIInChI=1S/C15H14N2OS2/c18-10-11-3-1-4-12(7-11)16-8-13-9-17-15(20-13)14-5-2-6-19-14/h1-7,9,16,18H,8,10H2
InChIKeyCZNSVDAJQIXCDP-UHFFFAOYSA-N
XLogP3.98
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [3-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methylamino]phenyl]methanol with MolForge

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Related Compounds

[1-[[(2-thiophen-2-yl-1,3-thiazol-5-yl)methylamino]methyl]cyclopropyl]methanol
CID 111916796
4-methyl-3-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methylamino]benzamide
CID 71913528
3-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methylamino]pentan-1-ol
CID 111916731
2-cyclopropyl-2-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methylamino]propan-1-ol
CID 111977204
2-(furan-2-yl)-2-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methylamino]ethanol
CID 111916789
(3-thiophen-2-ylphenyl)methanol
CID 7537586
4-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methylamino]piperidine-1-carboxamide
CID 71975057
[5-[3-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]furan-2-yl]methanol
CID 168582662
[3-[(4-phenyl-1,3-thiazol-2-yl)methylamino]phenyl]methanol
CID 62900357
[3-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethylamino]phenyl]methanol
CID 110888227
(3-thiophen-2-ylanilino)methanol
CID 143026650
[3-[[(6-amino-3-pyridinyl)amino]methyl]phenyl]methanol
CID 107231807

Frequently Asked Questions

What is the IUPAC name of [3-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methylamino]phenyl]methanol?
The IUPAC name of [3-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methylamino]phenyl]methanol (CID 99791904) is [3-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methylamino]phenyl]methanol.
What is the SMILES notation for [3-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methylamino]phenyl]methanol?
The canonical SMILES for [3-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methylamino]phenyl]methanol is OCc1cccc(NCc2cnc(-c3cccs3)s2)c1.
What is the InChIKey of [3-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methylamino]phenyl]methanol?
The InChIKey is CZNSVDAJQIXCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS2/c18-10-11-3-1-4-12(7-11)16-8-13-9-17-15(20-13)14-5-2-6-19-14/h1-7,9,16,18H,8,10H2.
What are the key properties of [3-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methylamino]phenyl]methanol?
[3-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methylamino]phenyl]methanol has a molecular weight of 302.42 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methylamino]phenyl]methanol is sourced from PubChem (CID 99791904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).