(2-amino-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)-phenylmethanone

C17H20N2OS — CID 65354949

IUPAC(2-amino-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)-phenylmethanone
SMILESCCCN1CCc2c(sc(N)c2C(=O)c2ccccc2)C1
InChIInChI=1S/C17H20N2OS/c1-2-9-19-10-8-13-14(11-19)21-17(18)15(13)16(20)12-6-4-3-5-7-12/h3-7H,2,8-11,18H2,1H3
InChIKeyCVOBDPYKFKYLON-UHFFFAOYSA-N
MW300.43 g/mol
LogP3.33
Rot. Bonds4

About (2-amino-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)-phenylmethanone

(2-amino-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)-phenylmethanone (PubChem CID 65354949) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is (2-amino-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)-phenylmethanone.

Molecular Properties

Compound Name(2-amino-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)-phenylmethanone
PubChem CID65354949
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC Name(2-amino-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)-phenylmethanone
SMILESCCCN1CCc2c(sc(N)c2C(=O)c2ccccc2)C1
InChIInChI=1S/C17H20N2OS/c1-2-9-19-10-8-13-14(11-19)21-17(18)15(13)16(20)12-6-4-3-5-7-12/h3-7H,2,8-11,18H2,1H3
InChIKeyCVOBDPYKFKYLON-UHFFFAOYSA-N
XLogP3.33
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_Aa(45)', 'substructure': 'N/A'}

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Related Compounds

[2-amino-6-(2-phenylethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]-(4-chlorophenyl)methanone
CID 18351235
1-[2-amino-6-(2-phenylethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]ethanone
CID 65354678
(2-amino-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)-piperidin-1-ylmethanone
CID 43367365
ethyl 2-amino-6-(4-oxo-4-phenylbutyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 22464681
(2-amino-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)-thiophen-2-ylmethanone
CID 10155112
2-amino-6-(2-methoxyethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid
CID 175569883
methyl 2-amino-6-pentyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 82098115
methyl 2-amino-6-butyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 82098114
ethyl 2-amino-6-[3-(4-chlorophenyl)propyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 22464823
ethyl 2-amino-6-(2-methoxyethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 155090726
1-[2-amino-3-(4-chlorobenzoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethanone
CID 178016521
methyl 2-(3,3-diphenylpropanoylamino)-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 43950029

Frequently Asked Questions

What is the IUPAC name of (2-amino-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)-phenylmethanone?
The IUPAC name of (2-amino-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)-phenylmethanone (CID 65354949) is (2-amino-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)-phenylmethanone.
What is the SMILES notation for (2-amino-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)-phenylmethanone?
The canonical SMILES for (2-amino-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)-phenylmethanone is CCCN1CCc2c(sc(N)c2C(=O)c2ccccc2)C1.
What is the InChIKey of (2-amino-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)-phenylmethanone?
The InChIKey is CVOBDPYKFKYLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-2-9-19-10-8-13-14(11-19)21-17(18)15(13)16(20)12-6-4-3-5-7-12/h3-7H,2,8-11,18H2,1H3.
What are the key properties of (2-amino-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)-phenylmethanone?
(2-amino-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)-phenylmethanone has a molecular weight of 300.43 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)-phenylmethanone is sourced from PubChem (CID 65354949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).