2-(2-morpholin-4-yl-1,3-thiazol-4-yl)-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]acetamide

C19H20N6O2S — CID 8978718

IUPAC2-(2-morpholin-4-yl-1,3-thiazol-4-yl)-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]acetamide
SMILESO=C(Cc1csc(N2CCOCC2)n1)N/N=C\c1cnn(-c2ccccc2)c1
InChIInChI=1S/C19H20N6O2S/c26-18(10-16-14-28-19(22-16)24-6-8-27-9-7-24)23-20-11-15-12-21-25(13-15)17-4-2-1-3-5-17/h1-5,11-14H,6-10H2,(H,23,26)/b20-11-
InChIKeySTQVEPPGVZNPDU-JAIQZWGSSA-N
MW396.48 g/mol
LogP1.86
Rot. Bonds6

About 2-(2-morpholin-4-yl-1,3-thiazol-4-yl)-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]acetamide

2-(2-morpholin-4-yl-1,3-thiazol-4-yl)-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]acetamide (PubChem CID 8978718) has the molecular formula C19H20N6O2S and a molecular weight of 396.48 g/mol. Its IUPAC name is 2-(2-morpholin-4-yl-1,3-thiazol-4-yl)-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-morpholin-4-yl-1,3-thiazol-4-yl)-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]acetamide
PubChem CID8978718
Molecular FormulaC19H20N6O2S
Molecular Weight396.48 g/mol
Exact Mass396.14
IUPAC Name2-(2-morpholin-4-yl-1,3-thiazol-4-yl)-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]acetamide
SMILESO=C(Cc1csc(N2CCOCC2)n1)N/N=C\c1cnn(-c2ccccc2)c1
InChIInChI=1S/C19H20N6O2S/c26-18(10-16-14-28-19(22-16)24-6-8-27-9-7-24)23-20-11-15-12-21-25(13-15)17-4-2-1-3-5-17/h1-5,11-14H,6-10H2,(H,23,26)/b20-11-
InChIKeySTQVEPPGVZNPDU-JAIQZWGSSA-N
XLogP1.86
TPSA84.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.48
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[2-(2-morpholin-4-yl-1,3-thiazol-4-yl)acetyl]-1-phenylpyrazole-4-carbohydrazide
CID 9278448
N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]-2-thiophen-2-ylacetamide
CID 8982260
3-methyl-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]butanamide
CID 8981777
N-[(1-phenylpyrazol-4-yl)methylideneamino]octanamide
CID 5101111
1-benzyl-3-[[2-(2-morpholin-4-yl-1,3-thiazol-4-yl)acetyl]amino]thiourea
CID 8627730
N-[(Z)-1-(4-imidazol-1-ylphenyl)ethylideneamino]-2-(2-morpholin-4-yl-1,3-thiazol-4-yl)acetamide
CID 6042005
2-(4-bromophenoxy)-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]acetamide
CID 8979522
N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]-1,3-benzodioxole-5-carboxamide
CID 8974541
N-[(E)-(3,4-difluorophenyl)methylideneamino]-2-morpholin-4-yl-1,3-thiazole-4-carboxamide
CID 55352710
N'-(4-methylphenyl)sulfonyl-2-(2-morpholin-4-yl-1,3-thiazol-4-yl)acetohydrazide
CID 8505665
(E)-N-(3-methyl-2-morpholin-4-ylbutyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 55519710
4-ethyl-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]benzamide
CID 8980773

Frequently Asked Questions

What is the IUPAC name of 2-(2-morpholin-4-yl-1,3-thiazol-4-yl)-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]acetamide?
The IUPAC name of 2-(2-morpholin-4-yl-1,3-thiazol-4-yl)-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]acetamide (CID 8978718) is 2-(2-morpholin-4-yl-1,3-thiazol-4-yl)-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2-morpholin-4-yl-1,3-thiazol-4-yl)-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]acetamide?
The canonical SMILES for 2-(2-morpholin-4-yl-1,3-thiazol-4-yl)-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]acetamide is O=C(Cc1csc(N2CCOCC2)n1)N/N=C\c1cnn(-c2ccccc2)c1.
What is the InChIKey of 2-(2-morpholin-4-yl-1,3-thiazol-4-yl)-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]acetamide?
The InChIKey is STQVEPPGVZNPDU-JAIQZWGSSA-N. The full InChI is InChI=1S/C19H20N6O2S/c26-18(10-16-14-28-19(22-16)24-6-8-27-9-7-24)23-20-11-15-12-21-25(13-15)17-4-2-1-3-5-17/h1-5,11-14H,6-10H2,(H,23,26)/b20-11-.
What are the key properties of 2-(2-morpholin-4-yl-1,3-thiazol-4-yl)-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]acetamide?
2-(2-morpholin-4-yl-1,3-thiazol-4-yl)-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]acetamide has a molecular weight of 396.48 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-morpholin-4-yl-1,3-thiazol-4-yl)-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]acetamide is sourced from PubChem (CID 8978718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).