N-(4,5-dihydro-1,3-thiazol-2-yl)-3-hydroxy-2-[(2-pyridin-4-ylacetyl)amino]propanamide

C13H16N4O3S — CID 4165771

IUPACN-(4,5-dihydro-1,3-thiazol-2-yl)-3-hydroxy-2-[(2-pyridin-4-ylacetyl)amino]propanamide
SMILESO=C(Cc1ccncc1)NC(CO)C(=O)NC1=NCCS1
InChIInChI=1S/C13H16N4O3S/c18-8-10(12(20)17-13-15-5-6-21-13)16-11(19)7-9-1-3-14-4-2-9/h1-4,10,18H,5-8H2,(H,16,19)(H,15,17,20)
InChIKeyDCHJTGNUPQBFRK-UHFFFAOYSA-N
MW308.36 g/mol
LogP-0.68
Rot. Bonds5

About N-(4,5-dihydro-1,3-thiazol-2-yl)-3-hydroxy-2-[(2-pyridin-4-ylacetyl)amino]propanamide

N-(4,5-dihydro-1,3-thiazol-2-yl)-3-hydroxy-2-[(2-pyridin-4-ylacetyl)amino]propanamide (PubChem CID 4165771) has the molecular formula C13H16N4O3S and a molecular weight of 308.36 g/mol. Its IUPAC name is N-(4,5-dihydro-1,3-thiazol-2-yl)-3-hydroxy-2-[(2-pyridin-4-ylacetyl)amino]propanamide.

Molecular Properties

Compound NameN-(4,5-dihydro-1,3-thiazol-2-yl)-3-hydroxy-2-[(2-pyridin-4-ylacetyl)amino]propanamide
PubChem CID4165771
Molecular FormulaC13H16N4O3S
Molecular Weight308.36 g/mol
Exact Mass308.09
IUPAC NameN-(4,5-dihydro-1,3-thiazol-2-yl)-3-hydroxy-2-[(2-pyridin-4-ylacetyl)amino]propanamide
SMILESO=C(Cc1ccncc1)NC(CO)C(=O)NC1=NCCS1
InChIInChI=1S/C13H16N4O3S/c18-8-10(12(20)17-13-15-5-6-21-13)16-11(19)7-9-1-3-14-4-2-9/h1-4,10,18H,5-8H2,(H,16,19)(H,15,17,20)
InChIKeyDCHJTGNUPQBFRK-UHFFFAOYSA-N
XLogP-0.68
TPSA103.68 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 5-0.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2S)-1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-hydroxy-1-oxopropan-2-yl]pyridine-4-carboxamide
CID 6723976
N-[(2S)-1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-hydroxy-1-oxopropan-2-yl]-1,3-benzodioxole-5-carboxamide
CID 6723590
(2S)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-hydroxy-2-[(2-oxo-2-thiophen-2-ylacetyl)amino]propanamide
CID 6724736
(2S)-3-hydroxy-N-(1,2-oxazol-3-yl)-2-[(2-pyridin-4-ylacetyl)amino]propanamide
CID 6724762
(2S)-N-benzyl-3-hydroxy-2-[(2-pyridin-4-ylacetyl)amino]propanamide
CID 6724767
N-(4,5-dihydro-1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 2110722
(2S)-3-hydroxy-N-morpholin-4-yl-2-[(2-pyridin-4-ylacetyl)amino]propanamide
CID 6724742
(2S)-3-hydroxy-N,N-dipropyl-2-[(2-pyridin-4-ylacetyl)amino]propanamide
CID 6724746
(2S)-N-(2-bicyclo[2.2.1]heptanyl)-3-hydroxy-2-[(2-pyridin-4-ylacetyl)amino]propanamide
CID 6724752
(2S)-N-benzyl-3-hydroxy-N-methyl-2-[(2-pyridin-4-ylacetyl)amino]propanamide
CID 6724745
N-[(2S)-3-hydroxy-1-morpholin-4-yl-1-oxopropan-2-yl]-2-pyridin-4-ylacetamide
CID 6724737
(2S)-2-[[2-(1-adamantyl)acetyl]amino]-N-(4,5-dihydro-1,3-thiazol-2-yl)-4-methylpentanamide
CID 7447466

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-3-hydroxy-2-[(2-pyridin-4-ylacetyl)amino]propanamide?
The IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-3-hydroxy-2-[(2-pyridin-4-ylacetyl)amino]propanamide (CID 4165771) is N-(4,5-dihydro-1,3-thiazol-2-yl)-3-hydroxy-2-[(2-pyridin-4-ylacetyl)amino]propanamide.
What is the SMILES notation for N-(4,5-dihydro-1,3-thiazol-2-yl)-3-hydroxy-2-[(2-pyridin-4-ylacetyl)amino]propanamide?
The canonical SMILES for N-(4,5-dihydro-1,3-thiazol-2-yl)-3-hydroxy-2-[(2-pyridin-4-ylacetyl)amino]propanamide is O=C(Cc1ccncc1)NC(CO)C(=O)NC1=NCCS1.
What is the InChIKey of N-(4,5-dihydro-1,3-thiazol-2-yl)-3-hydroxy-2-[(2-pyridin-4-ylacetyl)amino]propanamide?
The InChIKey is DCHJTGNUPQBFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3S/c18-8-10(12(20)17-13-15-5-6-21-13)16-11(19)7-9-1-3-14-4-2-9/h1-4,10,18H,5-8H2,(H,16,19)(H,15,17,20).
What are the key properties of N-(4,5-dihydro-1,3-thiazol-2-yl)-3-hydroxy-2-[(2-pyridin-4-ylacetyl)amino]propanamide?
N-(4,5-dihydro-1,3-thiazol-2-yl)-3-hydroxy-2-[(2-pyridin-4-ylacetyl)amino]propanamide has a molecular weight of 308.36 g/mol, XLogP of -0.68, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1,3-thiazol-2-yl)-3-hydroxy-2-[(2-pyridin-4-ylacetyl)amino]propanamide is sourced from PubChem (CID 4165771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).