N-[(2S)-1-oxo-1-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]propan-2-yl]furan-2-carboxamide

C16H14N4O3S — CID 2536143

IUPACN-[(2S)-1-oxo-1-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]propan-2-yl]furan-2-carboxamide
SMILESC[C@H](NC(=O)c1ccco1)C(=O)Nc1nc(-c2ccccn2)cs1
InChIInChI=1S/C16H14N4O3S/c1-10(18-15(22)13-6-4-8-23-13)14(21)20-16-19-12(9-24-16)11-5-2-3-7-17-11/h2-10H,1H3,(H,18,22)(H,19,20,21)/t10-/m0/s1
InChIKeyWCQJJOIGIVFMKQ-JTQLQIEISA-N
MW342.38 g/mol
LogP2.56
Rot. Bonds5

About N-[(2S)-1-oxo-1-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]propan-2-yl]furan-2-carboxamide

N-[(2S)-1-oxo-1-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]propan-2-yl]furan-2-carboxamide (PubChem CID 2536143) has the molecular formula C16H14N4O3S and a molecular weight of 342.38 g/mol. Its IUPAC name is N-[(2S)-1-oxo-1-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]propan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-oxo-1-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]propan-2-yl]furan-2-carboxamide
PubChem CID2536143
Molecular FormulaC16H14N4O3S
Molecular Weight342.38 g/mol
Exact Mass342.08
IUPAC NameN-[(2S)-1-oxo-1-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]propan-2-yl]furan-2-carboxamide
SMILESC[C@H](NC(=O)c1ccco1)C(=O)Nc1nc(-c2ccccn2)cs1
InChIInChI=1S/C16H14N4O3S/c1-10(18-15(22)13-6-4-8-23-13)14(21)20-16-19-12(9-24-16)11-5-2-3-7-17-11/h2-10H,1H3,(H,18,22)(H,19,20,21)/t10-/m0/s1
InChIKeyWCQJJOIGIVFMKQ-JTQLQIEISA-N
XLogP2.56
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-oxo-1-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]propan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[(2S)-1-oxo-1-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]propan-2-yl]furan-2-carboxamide (CID 2536143) is N-[(2S)-1-oxo-1-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]propan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-oxo-1-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]propan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[(2S)-1-oxo-1-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]propan-2-yl]furan-2-carboxamide is C[C@H](NC(=O)c1ccco1)C(=O)Nc1nc(-c2ccccn2)cs1.
What is the InChIKey of N-[(2S)-1-oxo-1-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]propan-2-yl]furan-2-carboxamide?
The InChIKey is WCQJJOIGIVFMKQ-JTQLQIEISA-N. The full InChI is InChI=1S/C16H14N4O3S/c1-10(18-15(22)13-6-4-8-23-13)14(21)20-16-19-12(9-24-16)11-5-2-3-7-17-11/h2-10H,1H3,(H,18,22)(H,19,20,21)/t10-/m0/s1.
What are the key properties of N-[(2S)-1-oxo-1-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]propan-2-yl]furan-2-carboxamide?
N-[(2S)-1-oxo-1-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]propan-2-yl]furan-2-carboxamide has a molecular weight of 342.38 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-oxo-1-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]propan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 2536143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).