4-[[(2S)-2-amino-3-hydroxypropyl]amino]-2-phenylthieno[3,2-c]pyridine-7-carboxamide

C17H18N4O2S — CID 69011369

IUPAC4-[[(2S)-2-amino-3-hydroxypropyl]amino]-2-phenylthieno[3,2-c]pyridine-7-carboxamide
SMILESNC(=O)c1cnc(NC[C@H](N)CO)c2cc(-c3ccccc3)sc12
InChIInChI=1S/C17H18N4O2S/c18-11(9-22)7-20-17-12-6-14(10-4-2-1-3-5-10)24-15(12)13(8-21-17)16(19)23/h1-6,8,11,22H,7,9,18H2,(H2,19,23)(H,20,21)/t11-/m0/s1
InChIKeyGPJWUPFPNCBBCV-NSHDSACASA-N
MW342.42 g/mol
LogP1.79
Rot. Bonds6

About 4-[[(2S)-2-amino-3-hydroxypropyl]amino]-2-phenylthieno[3,2-c]pyridine-7-carboxamide

4-[[(2S)-2-amino-3-hydroxypropyl]amino]-2-phenylthieno[3,2-c]pyridine-7-carboxamide (PubChem CID 69011369) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is 4-[[(2S)-2-amino-3-hydroxypropyl]amino]-2-phenylthieno[3,2-c]pyridine-7-carboxamide.

Molecular Properties

Compound Name4-[[(2S)-2-amino-3-hydroxypropyl]amino]-2-phenylthieno[3,2-c]pyridine-7-carboxamide
PubChem CID69011369
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name4-[[(2S)-2-amino-3-hydroxypropyl]amino]-2-phenylthieno[3,2-c]pyridine-7-carboxamide
SMILESNC(=O)c1cnc(NC[C@H](N)CO)c2cc(-c3ccccc3)sc12
InChIInChI=1S/C17H18N4O2S/c18-11(9-22)7-20-17-12-6-14(10-4-2-1-3-5-10)24-15(12)13(8-21-17)16(19)23/h1-6,8,11,22H,7,9,18H2,(H2,19,23)(H,20,21)/t11-/m0/s1
InChIKeyGPJWUPFPNCBBCV-NSHDSACASA-N
XLogP1.79
TPSA114.26 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 51.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[(2S)-2-amino-3-hydroxypropyl]amino]-2-phenylthieno[3,2-c]pyridine-7-carboxamide?
The IUPAC name of 4-[[(2S)-2-amino-3-hydroxypropyl]amino]-2-phenylthieno[3,2-c]pyridine-7-carboxamide (CID 69011369) is 4-[[(2S)-2-amino-3-hydroxypropyl]amino]-2-phenylthieno[3,2-c]pyridine-7-carboxamide.
What is the SMILES notation for 4-[[(2S)-2-amino-3-hydroxypropyl]amino]-2-phenylthieno[3,2-c]pyridine-7-carboxamide?
The canonical SMILES for 4-[[(2S)-2-amino-3-hydroxypropyl]amino]-2-phenylthieno[3,2-c]pyridine-7-carboxamide is NC(=O)c1cnc(NC[C@H](N)CO)c2cc(-c3ccccc3)sc12.
What is the InChIKey of 4-[[(2S)-2-amino-3-hydroxypropyl]amino]-2-phenylthieno[3,2-c]pyridine-7-carboxamide?
The InChIKey is GPJWUPFPNCBBCV-NSHDSACASA-N. The full InChI is InChI=1S/C17H18N4O2S/c18-11(9-22)7-20-17-12-6-14(10-4-2-1-3-5-10)24-15(12)13(8-21-17)16(19)23/h1-6,8,11,22H,7,9,18H2,(H2,19,23)(H,20,21)/t11-/m0/s1.
What are the key properties of 4-[[(2S)-2-amino-3-hydroxypropyl]amino]-2-phenylthieno[3,2-c]pyridine-7-carboxamide?
4-[[(2S)-2-amino-3-hydroxypropyl]amino]-2-phenylthieno[3,2-c]pyridine-7-carboxamide has a molecular weight of 342.42 g/mol, XLogP of 1.79, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2S)-2-amino-3-hydroxypropyl]amino]-2-phenylthieno[3,2-c]pyridine-7-carboxamide is sourced from PubChem (CID 69011369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).