N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-6-(thiolan-3-yloxy)pyridine-3-carboxamide

C20H19N3O2S2 — CID 91815537

IUPACN-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-6-(thiolan-3-yloxy)pyridine-3-carboxamide
SMILESCc1nc(-c2cccc(NC(=O)c3ccc(OC4CCSC4)nc3)c2)cs1
InChIInChI=1S/C20H19N3O2S2/c1-13-22-18(12-27-13)14-3-2-4-16(9-14)23-20(24)15-5-6-19(21-10-15)25-17-7-8-26-11-17/h2-6,9-10,12,17H,7-8,11H2,1H3,(H,23,24)
InChIKeyRCVVZXHXXJSODU-UHFFFAOYSA-N
MW397.53 g/mol
LogP4.65
Rot. Bonds5

About N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-6-(thiolan-3-yloxy)pyridine-3-carboxamide

N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-6-(thiolan-3-yloxy)pyridine-3-carboxamide (PubChem CID 91815537) has the molecular formula C20H19N3O2S2 and a molecular weight of 397.53 g/mol. Its IUPAC name is N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-6-(thiolan-3-yloxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-6-(thiolan-3-yloxy)pyridine-3-carboxamide
PubChem CID91815537
Molecular FormulaC20H19N3O2S2
Molecular Weight397.53 g/mol
Exact Mass397.09
IUPAC NameN-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-6-(thiolan-3-yloxy)pyridine-3-carboxamide
SMILESCc1nc(-c2cccc(NC(=O)c3ccc(OC4CCSC4)nc3)c2)cs1
InChIInChI=1S/C20H19N3O2S2/c1-13-22-18(12-27-13)14-3-2-4-16(9-14)23-20(24)15-5-6-19(21-10-15)25-17-7-8-26-11-17/h2-6,9-10,12,17H,7-8,11H2,1H3,(H,23,24)
InChIKeyRCVVZXHXXJSODU-UHFFFAOYSA-N
XLogP4.65
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.53
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-6-(thiolan-3-yloxy)pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 766934
4-(1,3-dithiolan-2-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 46807139
3-bromo-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 1362516
3-(dimethylamino)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 30859281
3-fluoro-4-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 26927659
3-(6-methylpyridazin-3-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 169412103
(3R)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-5-oxo-1,4-thiazepane-3-carboxamide
CID 95986503
2,6-dimethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 99582165
4-chloro-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-nitrobenzamide
CID 30859161
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-6-(thiolan-3-yloxy)pyridine-3-carboxamide
CID 91625388
N-(1-hydroxy-2-methylpropan-2-yl)-6-(thiolan-3-yloxy)pyridine-3-carboxamide
CID 91625368
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-(thiophen-2-ylsulfonylamino)benzamide
CID 46492108

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-6-(thiolan-3-yloxy)pyridine-3-carboxamide?
The IUPAC name of N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-6-(thiolan-3-yloxy)pyridine-3-carboxamide (CID 91815537) is N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-6-(thiolan-3-yloxy)pyridine-3-carboxamide.
What is the SMILES notation for N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-6-(thiolan-3-yloxy)pyridine-3-carboxamide?
The canonical SMILES for N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-6-(thiolan-3-yloxy)pyridine-3-carboxamide is Cc1nc(-c2cccc(NC(=O)c3ccc(OC4CCSC4)nc3)c2)cs1.
What is the InChIKey of N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-6-(thiolan-3-yloxy)pyridine-3-carboxamide?
The InChIKey is RCVVZXHXXJSODU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2S2/c1-13-22-18(12-27-13)14-3-2-4-16(9-14)23-20(24)15-5-6-19(21-10-15)25-17-7-8-26-11-17/h2-6,9-10,12,17H,7-8,11H2,1H3,(H,23,24).
What are the key properties of N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-6-(thiolan-3-yloxy)pyridine-3-carboxamide?
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-6-(thiolan-3-yloxy)pyridine-3-carboxamide has a molecular weight of 397.53 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-6-(thiolan-3-yloxy)pyridine-3-carboxamide is sourced from PubChem (CID 91815537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).