2-(1-methylpyrazol-4-yl)-N-[3-(morpholine-4-carbonyl)phenyl]-1,3-thiazole-4-carboxamide

C19H19N5O3S — CID 47048396

IUPAC2-(1-methylpyrazol-4-yl)-N-[3-(morpholine-4-carbonyl)phenyl]-1,3-thiazole-4-carboxamide
SMILESCn1cc(-c2nc(C(=O)Nc3cccc(C(=O)N4CCOCC4)c3)cs2)cn1
InChIInChI=1S/C19H19N5O3S/c1-23-11-14(10-20-23)18-22-16(12-28-18)17(25)21-15-4-2-3-13(9-15)19(26)24-5-7-27-8-6-24/h2-4,9-12H,5-8H2,1H3,(H,21,25)
InChIKeyVQSHGECOKMIIGG-UHFFFAOYSA-N
MW397.46 g/mol
LogP2.27
Rot. Bonds4

About 2-(1-methylpyrazol-4-yl)-N-[3-(morpholine-4-carbonyl)phenyl]-1,3-thiazole-4-carboxamide

2-(1-methylpyrazol-4-yl)-N-[3-(morpholine-4-carbonyl)phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 47048396) has the molecular formula C19H19N5O3S and a molecular weight of 397.46 g/mol. Its IUPAC name is 2-(1-methylpyrazol-4-yl)-N-[3-(morpholine-4-carbonyl)phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-methylpyrazol-4-yl)-N-[3-(morpholine-4-carbonyl)phenyl]-1,3-thiazole-4-carboxamide
PubChem CID47048396
Molecular FormulaC19H19N5O3S
Molecular Weight397.46 g/mol
Exact Mass397.12
IUPAC Name2-(1-methylpyrazol-4-yl)-N-[3-(morpholine-4-carbonyl)phenyl]-1,3-thiazole-4-carboxamide
SMILESCn1cc(-c2nc(C(=O)Nc3cccc(C(=O)N4CCOCC4)c3)cs2)cn1
InChIInChI=1S/C19H19N5O3S/c1-23-11-14(10-20-23)18-22-16(12-28-18)17(25)21-15-4-2-3-13(9-15)19(26)24-5-7-27-8-6-24/h2-4,9-12H,5-8H2,1H3,(H,21,25)
InChIKeyVQSHGECOKMIIGG-UHFFFAOYSA-N
XLogP2.27
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 3-[2-[3-[[2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]amino]phenyl]ethynyl]benzoate
CID 55788748
N-(3-acetylphenyl)-4-(morpholine-4-carbonyl)pyridine-2-carboxamide
CID 109082912
2-(1-methylpyrazol-4-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-1,3-thiazole-4-carboxamide
CID 55790144
3-(1-methylpyrazol-4-yl)-N-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 169417027
2-(4-fluorophenyl)-N-[4-(morpholine-4-carbonyl)phenyl]-1,3-thiazole-4-carboxamide
CID 78892236
N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 55790313
N-(3-acetylphenyl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 18197950
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 146085697
N-[3-(morpholine-4-carbonyl)phenyl]-4-phenylbenzamide
CID 17205412
[3-(hydroxyamino)phenyl]-morpholin-4-ylmethanone
CID 59690262
(3R,4S)-4-(1-methylpyrazol-4-yl)-N-[3-(morpholine-4-carbonyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 120922668
2-(1-methylpyrazol-4-yl)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 55788904

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-4-yl)-N-[3-(morpholine-4-carbonyl)phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(1-methylpyrazol-4-yl)-N-[3-(morpholine-4-carbonyl)phenyl]-1,3-thiazole-4-carboxamide (CID 47048396) is 2-(1-methylpyrazol-4-yl)-N-[3-(morpholine-4-carbonyl)phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(1-methylpyrazol-4-yl)-N-[3-(morpholine-4-carbonyl)phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(1-methylpyrazol-4-yl)-N-[3-(morpholine-4-carbonyl)phenyl]-1,3-thiazole-4-carboxamide is Cn1cc(-c2nc(C(=O)Nc3cccc(C(=O)N4CCOCC4)c3)cs2)cn1.
What is the InChIKey of 2-(1-methylpyrazol-4-yl)-N-[3-(morpholine-4-carbonyl)phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is VQSHGECOKMIIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3S/c1-23-11-14(10-20-23)18-22-16(12-28-18)17(25)21-15-4-2-3-13(9-15)19(26)24-5-7-27-8-6-24/h2-4,9-12H,5-8H2,1H3,(H,21,25).
What are the key properties of 2-(1-methylpyrazol-4-yl)-N-[3-(morpholine-4-carbonyl)phenyl]-1,3-thiazole-4-carboxamide?
2-(1-methylpyrazol-4-yl)-N-[3-(morpholine-4-carbonyl)phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 397.46 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-4-yl)-N-[3-(morpholine-4-carbonyl)phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 47048396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).