(2S)-2-amino-1-[4-(3-amino-4-propylthieno[2,3-b]pyridin-6-yl)piperazin-1-yl]propan-1-one

C17H25N5OS — CID 141077744

IUPAC(2S)-2-amino-1-[4-(3-amino-4-propylthieno[2,3-b]pyridin-6-yl)piperazin-1-yl]propan-1-one
SMILESCCCc1cc(N2CCN(C(=O)[C@H](C)N)CC2)nc2scc(N)c12
InChIInChI=1S/C17H25N5OS/c1-3-4-12-9-14(20-16-15(12)13(19)10-24-16)21-5-7-22(8-6-21)17(23)11(2)18/h9-11H,3-8,18-19H2,1-2H3/t11-/m0/s1
InChIKeyRRSJCZMUUZHZBD-NSHDSACASA-N
MW347.49 g/mol
LogP1.83
Rot. Bonds4

About (2S)-2-amino-1-[4-(3-amino-4-propylthieno[2,3-b]pyridin-6-yl)piperazin-1-yl]propan-1-one

(2S)-2-amino-1-[4-(3-amino-4-propylthieno[2,3-b]pyridin-6-yl)piperazin-1-yl]propan-1-one (PubChem CID 141077744) has the molecular formula C17H25N5OS and a molecular weight of 347.49 g/mol. Its IUPAC name is (2S)-2-amino-1-[4-(3-amino-4-propylthieno[2,3-b]pyridin-6-yl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-[4-(3-amino-4-propylthieno[2,3-b]pyridin-6-yl)piperazin-1-yl]propan-1-one
PubChem CID141077744
Molecular FormulaC17H25N5OS
Molecular Weight347.49 g/mol
Exact Mass347.18
IUPAC Name(2S)-2-amino-1-[4-(3-amino-4-propylthieno[2,3-b]pyridin-6-yl)piperazin-1-yl]propan-1-one
SMILESCCCc1cc(N2CCN(C(=O)[C@H](C)N)CC2)nc2scc(N)c12
InChIInChI=1S/C17H25N5OS/c1-3-4-12-9-14(20-16-15(12)13(19)10-24-16)21-5-7-22(8-6-21)17(23)11(2)18/h9-11H,3-8,18-19H2,1-2H3/t11-/m0/s1
InChIKeyRRSJCZMUUZHZBD-NSHDSACASA-N
XLogP1.83
TPSA88.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.49
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2S)-2-amino-1-[4-(3-amino-4-propylthieno[2,3-b]pyridin-6-yl)piperazin-1-yl]propan-1-one with MolForge

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Launch Full Analysis

Related Compounds

3-amino-6-[4-[(2S)-2-aminopropanoyl]piperazin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxylic acid
CID 23400850
4-(3-amino-4-propylthieno[2,3-b]pyridin-6-yl)piperazine-1-sulfonamide
CID 91128293
6-[4-(methylamino)piperidin-1-yl]-4-propyl-2-tritiothieno[2,3-b]pyridin-3-amine
CID 91260202
tert-butyl 4-(3-amino-2-carbamoyl-4-propylthieno[2,3-b]pyridin-6-yl)piperazine-1-carboxylate
CID 23401058
3-amino-6-(1,1-dioxo-1,4-thiazinan-4-yl)-4-propylthieno[2,3-b]pyridine-2-carboxamide
CID 23400921
3-amino-6-[4-(dimethylamino)piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxylic acid
CID 22278580
2-amino-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-1-one
CID 54872835
3-amino-6-(1,4-diazepan-1-yl)-4-propylthieno[2,3-b]pyridine-2-carboxamide
CID 23400922
2-amino-1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]propan-1-one
CID 60945383
2-amino-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-1-one;hydrochloride
CID 119112229
3-amino-6-[(3S)-3-aminopyrrolidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxylic acid
CID 23400853
3-amino-6-[(3R)-3-aminopyrrolidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxylic acid
CID 142776840

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-[4-(3-amino-4-propylthieno[2,3-b]pyridin-6-yl)piperazin-1-yl]propan-1-one?
The IUPAC name of (2S)-2-amino-1-[4-(3-amino-4-propylthieno[2,3-b]pyridin-6-yl)piperazin-1-yl]propan-1-one (CID 141077744) is (2S)-2-amino-1-[4-(3-amino-4-propylthieno[2,3-b]pyridin-6-yl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for (2S)-2-amino-1-[4-(3-amino-4-propylthieno[2,3-b]pyridin-6-yl)piperazin-1-yl]propan-1-one?
The canonical SMILES for (2S)-2-amino-1-[4-(3-amino-4-propylthieno[2,3-b]pyridin-6-yl)piperazin-1-yl]propan-1-one is CCCc1cc(N2CCN(C(=O)[C@H](C)N)CC2)nc2scc(N)c12.
What is the InChIKey of (2S)-2-amino-1-[4-(3-amino-4-propylthieno[2,3-b]pyridin-6-yl)piperazin-1-yl]propan-1-one?
The InChIKey is RRSJCZMUUZHZBD-NSHDSACASA-N. The full InChI is InChI=1S/C17H25N5OS/c1-3-4-12-9-14(20-16-15(12)13(19)10-24-16)21-5-7-22(8-6-21)17(23)11(2)18/h9-11H,3-8,18-19H2,1-2H3/t11-/m0/s1.
What are the key properties of (2S)-2-amino-1-[4-(3-amino-4-propylthieno[2,3-b]pyridin-6-yl)piperazin-1-yl]propan-1-one?
(2S)-2-amino-1-[4-(3-amino-4-propylthieno[2,3-b]pyridin-6-yl)piperazin-1-yl]propan-1-one has a molecular weight of 347.49 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-[4-(3-amino-4-propylthieno[2,3-b]pyridin-6-yl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 141077744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).