N-[(2R)-1-[(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]furan-3-carboxamide

C17H16N4O3S — CID 51963928

IUPACN-[(2R)-1-[(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]furan-3-carboxamide
SMILESCc1nc(NC(=O)[C@@H](C)NC(=O)c2ccoc2)sc1-c1ccccn1
InChIInChI=1S/C17H16N4O3S/c1-10-14(13-5-3-4-7-18-13)25-17(20-10)21-15(22)11(2)19-16(23)12-6-8-24-9-12/h3-9,11H,1-2H3,(H,19,23)(H,20,21,22)/t11-/m1/s1
InChIKeyDWFSEYPMYYKTIX-LLVKDONJSA-N
MW356.41 g/mol
LogP2.86
Rot. Bonds5

About N-[(2R)-1-[(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]furan-3-carboxamide

N-[(2R)-1-[(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]furan-3-carboxamide (PubChem CID 51963928) has the molecular formula C17H16N4O3S and a molecular weight of 356.41 g/mol. Its IUPAC name is N-[(2R)-1-[(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-[(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]furan-3-carboxamide
PubChem CID51963928
Molecular FormulaC17H16N4O3S
Molecular Weight356.41 g/mol
Exact Mass356.09
IUPAC NameN-[(2R)-1-[(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]furan-3-carboxamide
SMILESCc1nc(NC(=O)[C@@H](C)NC(=O)c2ccoc2)sc1-c1ccccn1
InChIInChI=1S/C17H16N4O3S/c1-10-14(13-5-3-4-7-18-13)25-17(20-10)21-15(22)11(2)19-16(23)12-6-8-24-9-12/h3-9,11H,1-2H3,(H,19,23)(H,20,21,22)/t11-/m1/s1
InChIKeyDWFSEYPMYYKTIX-LLVKDONJSA-N
XLogP2.86
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.41
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]furan-3-carboxamide?
The IUPAC name of N-[(2R)-1-[(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]furan-3-carboxamide (CID 51963928) is N-[(2R)-1-[(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]furan-3-carboxamide.
What is the SMILES notation for N-[(2R)-1-[(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]furan-3-carboxamide?
The canonical SMILES for N-[(2R)-1-[(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]furan-3-carboxamide is Cc1nc(NC(=O)[C@@H](C)NC(=O)c2ccoc2)sc1-c1ccccn1.
What is the InChIKey of N-[(2R)-1-[(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]furan-3-carboxamide?
The InChIKey is DWFSEYPMYYKTIX-LLVKDONJSA-N. The full InChI is InChI=1S/C17H16N4O3S/c1-10-14(13-5-3-4-7-18-13)25-17(20-10)21-15(22)11(2)19-16(23)12-6-8-24-9-12/h3-9,11H,1-2H3,(H,19,23)(H,20,21,22)/t11-/m1/s1.
What are the key properties of N-[(2R)-1-[(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]furan-3-carboxamide?
N-[(2R)-1-[(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]furan-3-carboxamide has a molecular weight of 356.41 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]furan-3-carboxamide is sourced from PubChem (CID 51963928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).