N-[(2S)-1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-hydroxy-1-oxopropan-2-yl]pyridine-4-carboxamide

C12H14N4O3S — CID 6723976

IUPACN-[(2S)-1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-hydroxy-1-oxopropan-2-yl]pyridine-4-carboxamide
SMILESO=C(N[C@@H](CO)C(=O)NC1=NCCS1)c1ccncc1
InChIInChI=1S/C12H14N4O3S/c17-7-9(11(19)16-12-14-5-6-20-12)15-10(18)8-1-3-13-4-2-8/h1-4,9,17H,5-7H2,(H,15,18)(H,14,16,19)/t9-/m0/s1
InChIKeyKWNWGOSNWOOQPI-VIFPVBQESA-N
MW294.34 g/mol
LogP-0.61
Rot. Bonds4

About N-[(2S)-1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-hydroxy-1-oxopropan-2-yl]pyridine-4-carboxamide

N-[(2S)-1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-hydroxy-1-oxopropan-2-yl]pyridine-4-carboxamide (PubChem CID 6723976) has the molecular formula C12H14N4O3S and a molecular weight of 294.34 g/mol. Its IUPAC name is N-[(2S)-1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-hydroxy-1-oxopropan-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-hydroxy-1-oxopropan-2-yl]pyridine-4-carboxamide
PubChem CID6723976
Molecular FormulaC12H14N4O3S
Molecular Weight294.34 g/mol
Exact Mass294.08
IUPAC NameN-[(2S)-1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-hydroxy-1-oxopropan-2-yl]pyridine-4-carboxamide
SMILESO=C(N[C@@H](CO)C(=O)NC1=NCCS1)c1ccncc1
InChIInChI=1S/C12H14N4O3S/c17-7-9(11(19)16-12-14-5-6-20-12)15-10(18)8-1-3-13-4-2-8/h1-4,9,17H,5-7H2,(H,15,18)(H,14,16,19)/t9-/m0/s1
InChIKeyKWNWGOSNWOOQPI-VIFPVBQESA-N
XLogP-0.61
TPSA103.68 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 5-0.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4,5-dihydro-1,3-thiazol-2-yl)-3-hydroxy-2-[(2-pyridin-4-ylacetyl)amino]propanamide
CID 4165771
N-(4,5-dihydro-1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 2110722
N-[(2S)-1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-hydroxy-1-oxopropan-2-yl]-1,3-benzodioxole-5-carboxamide
CID 6723590
N-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-hydroxy-1-oxopropan-2-yl]quinoline-4-carboxamide
CID 3460373
(2S)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-hydroxy-2-[(2-oxo-2-thiophen-2-ylacetyl)amino]propanamide
CID 6724736
N-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-hydroxy-1-oxopropan-2-yl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 5048892
N-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-oxopropan-2-yl]benzamide
CID 3246749
1-N,4-N-bis(4,5-dihydro-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide
CID 4066059
N-[(2S)-1-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-oxopropan-2-yl]-4-fluorobenzamide
CID 745467
N-[3-hydroxy-1-oxo-1-(2-oxopropylamino)propan-2-yl]pyridine-4-carboxamide;methanol
CID 143631497
methyl 3-hydroxy-2-(pyridine-4-carbonylamino)propanoate
CID 43407026
(2S)-2-bromo-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylacetamide
CID 99864673

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-hydroxy-1-oxopropan-2-yl]pyridine-4-carboxamide?
The IUPAC name of N-[(2S)-1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-hydroxy-1-oxopropan-2-yl]pyridine-4-carboxamide (CID 6723976) is N-[(2S)-1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-hydroxy-1-oxopropan-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(2S)-1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-hydroxy-1-oxopropan-2-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[(2S)-1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-hydroxy-1-oxopropan-2-yl]pyridine-4-carboxamide is O=C(N[C@@H](CO)C(=O)NC1=NCCS1)c1ccncc1.
What is the InChIKey of N-[(2S)-1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-hydroxy-1-oxopropan-2-yl]pyridine-4-carboxamide?
The InChIKey is KWNWGOSNWOOQPI-VIFPVBQESA-N. The full InChI is InChI=1S/C12H14N4O3S/c17-7-9(11(19)16-12-14-5-6-20-12)15-10(18)8-1-3-13-4-2-8/h1-4,9,17H,5-7H2,(H,15,18)(H,14,16,19)/t9-/m0/s1.
What are the key properties of N-[(2S)-1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-hydroxy-1-oxopropan-2-yl]pyridine-4-carboxamide?
N-[(2S)-1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-hydroxy-1-oxopropan-2-yl]pyridine-4-carboxamide has a molecular weight of 294.34 g/mol, XLogP of -0.61, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-hydroxy-1-oxopropan-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 6723976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).