6-oxo-N-[4-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-1,3-thiazol-2-yl]-3H-pyridine-3-carboxamide

C16H18N4O4S — CID 73338988

IUPAC6-oxo-N-[4-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-1,3-thiazol-2-yl]-3H-pyridine-3-carboxamide
SMILESO=C1C=CC(C(=O)Nc2nc(CC(=O)NCC3CCCO3)cs2)C=N1
InChIInChI=1S/C16H18N4O4S/c21-13-4-3-10(7-17-13)15(23)20-16-19-11(9-25-16)6-14(22)18-8-12-2-1-5-24-12/h3-4,7,9-10,12H,1-2,5-6,8H2,(H,18,22)(H,19,20,23)
InChIKeyMOAACTKKIIDPPX-UHFFFAOYSA-N
MW362.41 g/mol
LogP0.70
Rot. Bonds6

About 6-oxo-N-[4-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-1,3-thiazol-2-yl]-3H-pyridine-3-carboxamide

6-oxo-N-[4-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-1,3-thiazol-2-yl]-3H-pyridine-3-carboxamide (PubChem CID 73338988) has the molecular formula C16H18N4O4S and a molecular weight of 362.41 g/mol. Its IUPAC name is 6-oxo-N-[4-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-1,3-thiazol-2-yl]-3H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-[4-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-1,3-thiazol-2-yl]-3H-pyridine-3-carboxamide
PubChem CID73338988
Molecular FormulaC16H18N4O4S
Molecular Weight362.41 g/mol
Exact Mass362.10
IUPAC Name6-oxo-N-[4-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-1,3-thiazol-2-yl]-3H-pyridine-3-carboxamide
SMILESO=C1C=CC(C(=O)Nc2nc(CC(=O)NCC3CCCO3)cs2)C=N1
InChIInChI=1S/C16H18N4O4S/c21-13-4-3-10(7-17-13)15(23)20-16-19-11(9-25-16)6-14(22)18-8-12-2-1-5-24-12/h3-4,7,9-10,12H,1-2,5-6,8H2,(H,18,22)(H,19,20,23)
InChIKeyMOAACTKKIIDPPX-UHFFFAOYSA-N
XLogP0.70
TPSA109.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-oxo-N-[4-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-1,3-thiazol-2-yl]-3H-pyridine-3-carboxamide with MolForge

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Related Compounds

6-oxo-N-[4-[2-oxo-2-(prop-2-enylamino)ethyl]-1,3-thiazol-2-yl]-3H-pyridine-3-carboxamide
CID 73338983
2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 18567713
N-[[(2S)-oxolan-2-yl]methyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 30661838
ethyl 4-[[2-[2-[(6-oxo-3H-pyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]acetyl]amino]piperidine-1-carboxylate
CID 73339075
N-[4-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-6-oxo-3H-pyridine-3-carboxamide
CID 73339054
2-[2-(methoxymethyl)-1,3-thiazol-4-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 110374670
2-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 110386949
N-(oxolan-2-ylmethyl)-2-[2-(2-pyridin-4-ylethyl)-1,3-thiazol-4-yl]acetamide
CID 110389610
6-oxo-N-[4-[2-oxo-2-(quinolin-5-ylamino)ethyl]-1,3-thiazol-2-yl]-3H-pyridine-3-carboxamide
CID 75120554
2-[2-[(4-fluorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 16899812
2-[2-[(4-chlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 40844012
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-2-(oxolan-2-yl)acetamide
CID 65155393

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-[4-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-1,3-thiazol-2-yl]-3H-pyridine-3-carboxamide?
The IUPAC name of 6-oxo-N-[4-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-1,3-thiazol-2-yl]-3H-pyridine-3-carboxamide (CID 73338988) is 6-oxo-N-[4-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-1,3-thiazol-2-yl]-3H-pyridine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-[4-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-1,3-thiazol-2-yl]-3H-pyridine-3-carboxamide?
The canonical SMILES for 6-oxo-N-[4-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-1,3-thiazol-2-yl]-3H-pyridine-3-carboxamide is O=C1C=CC(C(=O)Nc2nc(CC(=O)NCC3CCCO3)cs2)C=N1.
What is the InChIKey of 6-oxo-N-[4-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-1,3-thiazol-2-yl]-3H-pyridine-3-carboxamide?
The InChIKey is MOAACTKKIIDPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O4S/c21-13-4-3-10(7-17-13)15(23)20-16-19-11(9-25-16)6-14(22)18-8-12-2-1-5-24-12/h3-4,7,9-10,12H,1-2,5-6,8H2,(H,18,22)(H,19,20,23).
What are the key properties of 6-oxo-N-[4-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-1,3-thiazol-2-yl]-3H-pyridine-3-carboxamide?
6-oxo-N-[4-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-1,3-thiazol-2-yl]-3H-pyridine-3-carboxamide has a molecular weight of 362.41 g/mol, XLogP of 0.70, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-[4-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-1,3-thiazol-2-yl]-3H-pyridine-3-carboxamide is sourced from PubChem (CID 73338988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).