1-(5-chlorothiophen-2-yl)-4-pyridin-3-ylbutan-2-amine

C13H15ClN2S — CID 105135401

IUPAC1-(5-chlorothiophen-2-yl)-4-pyridin-3-ylbutan-2-amine
SMILESNC(CCc1cccnc1)Cc1ccc(Cl)s1
InChIInChI=1S/C13H15ClN2S/c14-13-6-5-12(17-13)8-11(15)4-3-10-2-1-7-16-9-10/h1-2,5-7,9,11H,3-4,8,15H2
InChIKeyXKVRPWNGYOJJPH-UHFFFAOYSA-N
MW266.80 g/mol
LogP3.30
Rot. Bonds5

About 1-(5-chlorothiophen-2-yl)-4-pyridin-3-ylbutan-2-amine

1-(5-chlorothiophen-2-yl)-4-pyridin-3-ylbutan-2-amine (PubChem CID 105135401) has the molecular formula C13H15ClN2S and a molecular weight of 266.80 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-4-pyridin-3-ylbutan-2-amine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-4-pyridin-3-ylbutan-2-amine
PubChem CID105135401
Molecular FormulaC13H15ClN2S
Molecular Weight266.80 g/mol
Exact Mass266.06
IUPAC Name1-(5-chlorothiophen-2-yl)-4-pyridin-3-ylbutan-2-amine
SMILESNC(CCc1cccnc1)Cc1ccc(Cl)s1
InChIInChI=1S/C13H15ClN2S/c14-13-6-5-12(17-13)8-11(15)4-3-10-2-1-7-16-9-10/h1-2,5-7,9,11H,3-4,8,15H2
InChIKeyXKVRPWNGYOJJPH-UHFFFAOYSA-N
XLogP3.30
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.80
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethylphenyl)-4-pyridin-3-ylbutan-2-amine
CID 105101899
1-pyridin-3-ylhexan-3-amine
CID 64506028
1-(1,3-benzothiazol-2-yl)-4-pyridin-3-ylbutan-2-amine
CID 105169783
6-methyl-1-pyridin-3-ylheptan-3-amine
CID 105127244
4-pyridin-3-yl-1-(2,4,6-trimethylphenyl)butan-2-amine
CID 105121222
1-(2-fluoro-3-methoxyphenyl)-4-pyridin-3-ylbutan-2-amine
CID 105180686
1-(2,3-dichlorophenyl)-3-pyridin-3-ylpropan-2-amine
CID 107308540
1-cyclopentyl-4-pyridin-3-ylbutan-2-amine
CID 105139079
1-pyridin-3-yl-5-thiophen-2-ylpentan-2-amine
CID 105179968
4-(2-methylpyrazol-3-yl)-1-pyridin-3-ylbutan-2-amine
CID 103009787
2-amino-3-(5-chlorothiophen-2-yl)propan-1-ol;hydrochloride
CID 170891756
1-(5-chlorothiophen-2-yl)butan-2-amine;hydrochloride
CID 170888362

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-4-pyridin-3-ylbutan-2-amine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-4-pyridin-3-ylbutan-2-amine (CID 105135401) is 1-(5-chlorothiophen-2-yl)-4-pyridin-3-ylbutan-2-amine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-4-pyridin-3-ylbutan-2-amine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-4-pyridin-3-ylbutan-2-amine is NC(CCc1cccnc1)Cc1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-4-pyridin-3-ylbutan-2-amine?
The InChIKey is XKVRPWNGYOJJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2S/c14-13-6-5-12(17-13)8-11(15)4-3-10-2-1-7-16-9-10/h1-2,5-7,9,11H,3-4,8,15H2.
What are the key properties of 1-(5-chlorothiophen-2-yl)-4-pyridin-3-ylbutan-2-amine?
1-(5-chlorothiophen-2-yl)-4-pyridin-3-ylbutan-2-amine has a molecular weight of 266.80 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-4-pyridin-3-ylbutan-2-amine is sourced from PubChem (CID 105135401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).