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

C16H16N4O3S — CID 3460373

IUPACN-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-hydroxy-1-oxopropan-2-yl]quinoline-4-carboxamide
SMILESO=C(NC(CO)C(=O)NC1=NCCS1)c1ccnc2ccccc12
InChIInChI=1S/C16H16N4O3S/c21-9-13(15(23)20-16-18-7-8-24-16)19-14(22)11-5-6-17-12-4-2-1-3-10(11)12/h1-6,13,21H,7-9H2,(H,19,22)(H,18,20,23)
InChIKeyRJORDKVLCMMJDK-UHFFFAOYSA-N
MW344.40 g/mol
LogP0.54
Rot. Bonds4

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

N-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-hydroxy-1-oxopropan-2-yl]quinoline-4-carboxamide (PubChem CID 3460373) has the molecular formula C16H16N4O3S and a molecular weight of 344.40 g/mol. Its IUPAC name is N-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-hydroxy-1-oxopropan-2-yl]quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-hydroxy-1-oxopropan-2-yl]quinoline-4-carboxamide
PubChem CID3460373
Molecular FormulaC16H16N4O3S
Molecular Weight344.40 g/mol
Exact Mass344.09
IUPAC NameN-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-hydroxy-1-oxopropan-2-yl]quinoline-4-carboxamide
SMILESO=C(NC(CO)C(=O)NC1=NCCS1)c1ccnc2ccccc12
InChIInChI=1S/C16H16N4O3S/c21-9-13(15(23)20-16-18-7-8-24-16)19-14(22)11-5-6-17-12-4-2-1-3-10(11)12/h1-6,13,21H,7-9H2,(H,19,22)(H,18,20,23)
InChIKeyRJORDKVLCMMJDK-UHFFFAOYSA-N
XLogP0.54
TPSA103.68 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-hydroxy-1-oxopropan-2-yl]quinoline-4-carboxamide with MolForge

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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-chlorophenyl)methylamino]-3-hydroxy-1-oxopropan-2-yl]quinoline-4-carboxamide
CID 6667383
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
(2S)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-hydroxy-2-[(2-oxo-2-thiophen-2-ylacetyl)amino]propanamide
CID 6724736
N-[3-hydroxy-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]quinoline-4-carboxamide
CID 3276520
N-pentan-3-ylquinoline-4-carboxamide
CID 78813506
methyl 3-hydroxy-2-(quinoline-5-carbonylamino)propanoate
CID 43422482
3-(quinoline-4-carbonylamino)butanoic acid
CID 81455717
N-(4-hydroxy-3-methylbutan-2-yl)quinoline-5-carboxamide
CID 115770742
N-(2-phenylphenyl)quinoline-4-carboxamide
CID 142724043
N-[2-(chloromethyl)phenyl]quinoline-4-carboxamide
CID 114298272
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]quinoline-4-carboxamide
CID 103725802

Frequently Asked Questions

What is the IUPAC name of N-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-hydroxy-1-oxopropan-2-yl]quinoline-4-carboxamide?
The IUPAC name of N-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-hydroxy-1-oxopropan-2-yl]quinoline-4-carboxamide (CID 3460373) is N-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-hydroxy-1-oxopropan-2-yl]quinoline-4-carboxamide.
What is the SMILES notation for N-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-hydroxy-1-oxopropan-2-yl]quinoline-4-carboxamide?
The canonical SMILES for N-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-hydroxy-1-oxopropan-2-yl]quinoline-4-carboxamide is O=C(NC(CO)C(=O)NC1=NCCS1)c1ccnc2ccccc12.
What is the InChIKey of N-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-hydroxy-1-oxopropan-2-yl]quinoline-4-carboxamide?
The InChIKey is RJORDKVLCMMJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3S/c21-9-13(15(23)20-16-18-7-8-24-16)19-14(22)11-5-6-17-12-4-2-1-3-10(11)12/h1-6,13,21H,7-9H2,(H,19,22)(H,18,20,23).
What are the key properties of N-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-hydroxy-1-oxopropan-2-yl]quinoline-4-carboxamide?
N-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-hydroxy-1-oxopropan-2-yl]quinoline-4-carboxamide has a molecular weight of 344.40 g/mol, XLogP of 0.54, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-hydroxy-1-oxopropan-2-yl]quinoline-4-carboxamide is sourced from PubChem (CID 3460373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).