[2-[propan-2-yl(thiophen-2-ylmethyl)amino]-4-pyridinyl]methanol

C14H18N2OS — CID 54946484

IUPAC[2-[propan-2-yl(thiophen-2-ylmethyl)amino]-4-pyridinyl]methanol
SMILESCC(C)N(Cc1cccs1)c1cc(CO)ccn1
InChIInChI=1S/C14H18N2OS/c1-11(2)16(9-13-4-3-7-18-13)14-8-12(10-17)5-6-15-14/h3-8,11,17H,9-10H2,1-2H3
InChIKeyTZRMRIFZSZSNTM-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.05
Rot. Bonds5

About [2-[propan-2-yl(thiophen-2-ylmethyl)amino]-4-pyridinyl]methanol

[2-[propan-2-yl(thiophen-2-ylmethyl)amino]-4-pyridinyl]methanol (PubChem CID 54946484) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is [2-[propan-2-yl(thiophen-2-ylmethyl)amino]-4-pyridinyl]methanol.

Molecular Properties

Compound Name[2-[propan-2-yl(thiophen-2-ylmethyl)amino]-4-pyridinyl]methanol
PubChem CID54946484
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name[2-[propan-2-yl(thiophen-2-ylmethyl)amino]-4-pyridinyl]methanol
SMILESCC(C)N(Cc1cccs1)c1cc(CO)ccn1
InChIInChI=1S/C14H18N2OS/c1-11(2)16(9-13-4-3-7-18-13)14-8-12(10-17)5-6-15-14/h3-8,11,17H,9-10H2,1-2H3
InChIKeyTZRMRIFZSZSNTM-UHFFFAOYSA-N
XLogP3.05
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 54948539
4-N-propan-2-yl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80809772
2-(aminomethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridin-4-amine
CID 62286889
6-(aminomethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridazin-3-amine
CID 62284331
5-(2-aminopropyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 80634233
5-(2-aminoethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 80634373
4-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]pyridine-2-carboxylic acid
CID 63883409
4-(chloromethyl)-N-ethyl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 61438001
2-[propan-2-yl(thiophen-2-ylmethyl)amino]pyridine-3-carbaldehyde
CID 114055506
[4-bromo-2-[propan-2-yl(thiophen-2-ylmethyl)amino]phenyl]methanol
CID 61452163
3-[propan-2-yl(thiophen-2-ylmethyl)amino]pyrazine-2-carbothioamide
CID 62684451
2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)pyrimidine-2,5-diamine
CID 54946553

Frequently Asked Questions

What is the IUPAC name of [2-[propan-2-yl(thiophen-2-ylmethyl)amino]-4-pyridinyl]methanol?
The IUPAC name of [2-[propan-2-yl(thiophen-2-ylmethyl)amino]-4-pyridinyl]methanol (CID 54946484) is [2-[propan-2-yl(thiophen-2-ylmethyl)amino]-4-pyridinyl]methanol.
What is the SMILES notation for [2-[propan-2-yl(thiophen-2-ylmethyl)amino]-4-pyridinyl]methanol?
The canonical SMILES for [2-[propan-2-yl(thiophen-2-ylmethyl)amino]-4-pyridinyl]methanol is CC(C)N(Cc1cccs1)c1cc(CO)ccn1.
What is the InChIKey of [2-[propan-2-yl(thiophen-2-ylmethyl)amino]-4-pyridinyl]methanol?
The InChIKey is TZRMRIFZSZSNTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-11(2)16(9-13-4-3-7-18-13)14-8-12(10-17)5-6-15-14/h3-8,11,17H,9-10H2,1-2H3.
What are the key properties of [2-[propan-2-yl(thiophen-2-ylmethyl)amino]-4-pyridinyl]methanol?
[2-[propan-2-yl(thiophen-2-ylmethyl)amino]-4-pyridinyl]methanol has a molecular weight of 262.38 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[propan-2-yl(thiophen-2-ylmethyl)amino]-4-pyridinyl]methanol is sourced from PubChem (CID 54946484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).