4-[[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]amino]phenol

C15H12ClNOS2 — CID 43790408

IUPAC4-[[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]amino]phenol
SMILESOc1ccc(NC(c2cccs2)c2ccc(Cl)s2)cc1
InChIInChI=1S/C15H12ClNOS2/c16-14-8-7-13(20-14)15(12-2-1-9-19-12)17-10-3-5-11(18)6-4-10/h1-9,15,17-18H
InChIKeyQWYUDAIRXYAPLO-UHFFFAOYSA-N
MW321.85 g/mol
LogP5.37
Rot. Bonds4

About 4-[[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]amino]phenol

4-[[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]amino]phenol (PubChem CID 43790408) has the molecular formula C15H12ClNOS2 and a molecular weight of 321.85 g/mol. Its IUPAC name is 4-[[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]amino]phenol.

Molecular Properties

Compound Name4-[[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]amino]phenol
PubChem CID43790408
Molecular FormulaC15H12ClNOS2
Molecular Weight321.85 g/mol
Exact Mass321.00
IUPAC Name4-[[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]amino]phenol
SMILESOc1ccc(NC(c2cccs2)c2ccc(Cl)s2)cc1
InChIInChI=1S/C15H12ClNOS2/c16-14-8-7-13(20-14)15(12-2-1-9-19-12)17-10-3-5-11(18)6-4-10/h1-9,15,17-18H
InChIKeyQWYUDAIRXYAPLO-UHFFFAOYSA-N
XLogP5.37
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.85
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-6-methylaniline
CID 66252073
N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]ethanamine
CID 43491982
N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]pyrrol-1-amine
CID 79091085
(5-chlorothiophen-2-yl)-thiophen-2-ylmethanol
CID 43234424
(R)-(5-chlorothiophen-2-yl)-thiophen-2-ylmethanol
CID 93029791
2-[[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]amino]-3-methylbutan-1-ol
CID 79254049
4-bromo-N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-2-methylaniline
CID 43758835
4-bromo-N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-2-fluoroaniline
CID 43759777
2-chloro-5-propan-2-ylthiophene;2-propan-2-ylthiophene
CID 165073785
2-chloro-5-[chloro(thiophen-2-yl)methyl]thiophene
CID 61084392
N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-5,5,5-trifluoropentan-1-amine
CID 115517345
N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-2-methoxyethanamine
CID 43756293

Frequently Asked Questions

What is the IUPAC name of 4-[[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]amino]phenol?
The IUPAC name of 4-[[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]amino]phenol (CID 43790408) is 4-[[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]amino]phenol.
What is the SMILES notation for 4-[[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]amino]phenol?
The canonical SMILES for 4-[[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]amino]phenol is Oc1ccc(NC(c2cccs2)c2ccc(Cl)s2)cc1.
What is the InChIKey of 4-[[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]amino]phenol?
The InChIKey is QWYUDAIRXYAPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNOS2/c16-14-8-7-13(20-14)15(12-2-1-9-19-12)17-10-3-5-11(18)6-4-10/h1-9,15,17-18H.
What are the key properties of 4-[[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]amino]phenol?
4-[[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]amino]phenol has a molecular weight of 321.85 g/mol, XLogP of 5.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]amino]phenol is sourced from PubChem (CID 43790408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).