N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide

C19H21N3O2S2 — CID 110222012

IUPACN-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(C)c(C(=O)NC(Cc2ccsc2)c2nc(C)c(C)s2)c(=O)[nH]1
InChIInChI=1S/C19H21N3O2S2/c1-10-7-11(2)20-17(23)16(10)18(24)22-15(8-14-5-6-25-9-14)19-21-12(3)13(4)26-19/h5-7,9,15H,8H2,1-4H3,(H,20,23)(H,22,24)
InChIKeyOGGZXFYRWAXTMR-UHFFFAOYSA-N
MW387.53 g/mol
LogP3.84
Rot. Bonds5

About N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide

N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 110222012) has the molecular formula C19H21N3O2S2 and a molecular weight of 387.53 g/mol. Its IUPAC name is N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
PubChem CID110222012
Molecular FormulaC19H21N3O2S2
Molecular Weight387.53 g/mol
Exact Mass387.11
IUPAC NameN-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(C)c(C(=O)NC(Cc2ccsc2)c2nc(C)c(C)s2)c(=O)[nH]1
InChIInChI=1S/C19H21N3O2S2/c1-10-7-11(2)20-17(23)16(10)18(24)22-15(8-14-5-6-25-9-14)19-21-12(3)13(4)26-19/h5-7,9,15H,8H2,1-4H3,(H,20,23)(H,22,24)
InChIKeyOGGZXFYRWAXTMR-UHFFFAOYSA-N
XLogP3.84
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide (CID 110222012) is N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide is Cc1cc(C)c(C(=O)NC(Cc2ccsc2)c2nc(C)c(C)s2)c(=O)[nH]1.
What is the InChIKey of N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is OGGZXFYRWAXTMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S2/c1-10-7-11(2)20-17(23)16(10)18(24)22-15(8-14-5-6-25-9-14)19-21-12(3)13(4)26-19/h5-7,9,15H,8H2,1-4H3,(H,20,23)(H,22,24).
What are the key properties of N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?
N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 387.53 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 110222012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).