6-chloro-N-(1-thiophen-3-ylpropan-2-yl)pyridin-2-amine

C12H13ClN2S — CID 63588798

IUPAC6-chloro-N-(1-thiophen-3-ylpropan-2-yl)pyridin-2-amine
SMILESCC(Cc1ccsc1)Nc1cccc(Cl)n1
InChIInChI=1S/C12H13ClN2S/c1-9(7-10-5-6-16-8-10)14-12-4-2-3-11(13)15-12/h2-6,8-9H,7H2,1H3,(H,14,15)
InChIKeyFXCHQMMDWXKASF-UHFFFAOYSA-N
MW252.77 g/mol
LogP3.84
Rot. Bonds4

About 6-chloro-N-(1-thiophen-3-ylpropan-2-yl)pyridin-2-amine

6-chloro-N-(1-thiophen-3-ylpropan-2-yl)pyridin-2-amine (PubChem CID 63588798) has the molecular formula C12H13ClN2S and a molecular weight of 252.77 g/mol. Its IUPAC name is 6-chloro-N-(1-thiophen-3-ylpropan-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name6-chloro-N-(1-thiophen-3-ylpropan-2-yl)pyridin-2-amine
PubChem CID63588798
Molecular FormulaC12H13ClN2S
Molecular Weight252.77 g/mol
Exact Mass252.05
IUPAC Name6-chloro-N-(1-thiophen-3-ylpropan-2-yl)pyridin-2-amine
SMILESCC(Cc1ccsc1)Nc1cccc(Cl)n1
InChIInChI=1S/C12H13ClN2S/c1-9(7-10-5-6-16-8-10)14-12-4-2-3-11(13)15-12/h2-6,8-9H,7H2,1H3,(H,14,15)
InChIKeyFXCHQMMDWXKASF-UHFFFAOYSA-N
XLogP3.84
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.77
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-chloro-N-[(2R)-1-methoxypropan-2-yl]pyridin-2-amine
CID 131065257
3,5-dichloro-2-N-methyl-6-N-(1-thiophen-3-ylpropan-2-yl)pyridine-2,6-diamine
CID 102756935
5-fluoro-N-(1-thiophen-3-ylpropan-2-yl)pyridin-2-amine
CID 61474267
2-ethyl-6-N-methyl-4-N-(1-thiophen-3-ylpropan-2-yl)pyrimidine-4,6-diamine
CID 80934504
2-chloro-6-(1-thiophen-3-ylpropan-2-ylamino)benzoic acid
CID 62711700
2-chloro-6-nitro-N-(1-thiophen-3-ylpropan-2-yl)aniline
CID 63540556
N-(1-thiophen-3-ylpropan-2-yl)quinazolin-2-amine
CID 114788976
6-(1-thiophen-3-ylpropan-2-ylamino)pyridine-3-carbonitrile
CID 47357833
4-methoxy-N-(1-thiophen-3-ylpropan-2-yl)pyrimidin-2-amine
CID 112686316
2,6-dichloro-N-(1-thiophen-3-ylpropan-2-yl)pyridine-4-carboxamide
CID 61150801
N-[(3-chlorophenyl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 61222821
5-bromo-3-chloro-N-(1-thiophen-3-ylpropan-2-yl)pyridin-2-amine
CID 103582447

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(1-thiophen-3-ylpropan-2-yl)pyridin-2-amine?
The IUPAC name of 6-chloro-N-(1-thiophen-3-ylpropan-2-yl)pyridin-2-amine (CID 63588798) is 6-chloro-N-(1-thiophen-3-ylpropan-2-yl)pyridin-2-amine.
What is the SMILES notation for 6-chloro-N-(1-thiophen-3-ylpropan-2-yl)pyridin-2-amine?
The canonical SMILES for 6-chloro-N-(1-thiophen-3-ylpropan-2-yl)pyridin-2-amine is CC(Cc1ccsc1)Nc1cccc(Cl)n1.
What is the InChIKey of 6-chloro-N-(1-thiophen-3-ylpropan-2-yl)pyridin-2-amine?
The InChIKey is FXCHQMMDWXKASF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2S/c1-9(7-10-5-6-16-8-10)14-12-4-2-3-11(13)15-12/h2-6,8-9H,7H2,1H3,(H,14,15).
What are the key properties of 6-chloro-N-(1-thiophen-3-ylpropan-2-yl)pyridin-2-amine?
6-chloro-N-(1-thiophen-3-ylpropan-2-yl)pyridin-2-amine has a molecular weight of 252.77 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(1-thiophen-3-ylpropan-2-yl)pyridin-2-amine is sourced from PubChem (CID 63588798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).