[3-[(3-methylthiophen-2-yl)methylamino]-4-pyridinyl]methanol

C12H14N2OS — CID 115749542

IUPAC[3-[(3-methylthiophen-2-yl)methylamino]-4-pyridinyl]methanol
SMILESCc1ccsc1CNc1cnccc1CO
InChIInChI=1S/C12H14N2OS/c1-9-3-5-16-12(9)7-14-11-6-13-4-2-10(11)8-15/h2-6,14-15H,7-8H2,1H3
InChIKeyBVJJKYJNNLERAK-UHFFFAOYSA-N
MW234.32 g/mol
LogP2.56
Rot. Bonds4

About [3-[(3-methylthiophen-2-yl)methylamino]-4-pyridinyl]methanol

[3-[(3-methylthiophen-2-yl)methylamino]-4-pyridinyl]methanol (PubChem CID 115749542) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is [3-[(3-methylthiophen-2-yl)methylamino]-4-pyridinyl]methanol.

Molecular Properties

Compound Name[3-[(3-methylthiophen-2-yl)methylamino]-4-pyridinyl]methanol
PubChem CID115749542
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Name[3-[(3-methylthiophen-2-yl)methylamino]-4-pyridinyl]methanol
SMILESCc1ccsc1CNc1cnccc1CO
InChIInChI=1S/C12H14N2OS/c1-9-3-5-16-12(9)7-14-11-6-13-4-2-10(11)8-15/h2-6,14-15H,7-8H2,1H3
InChIKeyBVJJKYJNNLERAK-UHFFFAOYSA-N
XLogP2.56
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-[(3-methylthiophen-2-yl)methyl]pyridin-4-amine
CID 104777162
[3-[(2,4-dimethylphenyl)methylamino]-4-pyridinyl]methanol
CID 71845475
8-N-[(3-methylthiophen-2-yl)methyl]isoquinoline-5,8-diamine
CID 103138732
[3-[(4-chloro-3-methoxy-1,2-thiazol-5-yl)methylamino]-4-pyridinyl]methanol
CID 146145103
[3-[(2-fluoro-5-methylphenyl)methylamino]-4-pyridinyl]methanol
CID 75436066
1,5-dimethyl-N-[(3-methylthiophen-2-yl)methyl]pyrazol-4-amine
CID 19626771
4-hydrazinyl-N-[(3-methylthiophen-2-yl)methyl]pyridine-3-carboxamide
CID 81248898
5-fluoro-N-[(3-methylthiophen-2-yl)methyl]pyrimidin-2-amine
CID 115750019
CID 172777676
CID 172777676
[3-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methylamino]-4-pyridinyl]methanol
CID 99620226
5-methyl-N-[(3-methylthiophen-2-yl)methyl]pyridin-2-amine
CID 112730229
2,6-dimethyl-N-[(3-methylthiophen-2-yl)methyl]aniline
CID 115749452

Frequently Asked Questions

What is the IUPAC name of [3-[(3-methylthiophen-2-yl)methylamino]-4-pyridinyl]methanol?
The IUPAC name of [3-[(3-methylthiophen-2-yl)methylamino]-4-pyridinyl]methanol (CID 115749542) is [3-[(3-methylthiophen-2-yl)methylamino]-4-pyridinyl]methanol.
What is the SMILES notation for [3-[(3-methylthiophen-2-yl)methylamino]-4-pyridinyl]methanol?
The canonical SMILES for [3-[(3-methylthiophen-2-yl)methylamino]-4-pyridinyl]methanol is Cc1ccsc1CNc1cnccc1CO.
What is the InChIKey of [3-[(3-methylthiophen-2-yl)methylamino]-4-pyridinyl]methanol?
The InChIKey is BVJJKYJNNLERAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c1-9-3-5-16-12(9)7-14-11-6-13-4-2-10(11)8-15/h2-6,14-15H,7-8H2,1H3.
What are the key properties of [3-[(3-methylthiophen-2-yl)methylamino]-4-pyridinyl]methanol?
[3-[(3-methylthiophen-2-yl)methylamino]-4-pyridinyl]methanol has a molecular weight of 234.32 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-methylthiophen-2-yl)methylamino]-4-pyridinyl]methanol is sourced from PubChem (CID 115749542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).