4-methyl-2-morpholin-4-yl-N'-(3-phenyl-2-sulfanylidene-1H-imidazole-4-carbonyl)-1,3-thiazole-5-carbohydrazide

C19H20N6O3S2 — CID 24553606

IUPAC4-methyl-2-morpholin-4-yl-N'-(3-phenyl-2-sulfanylidene-1H-imidazole-4-carbonyl)-1,3-thiazole-5-carbohydrazide
SMILESCc1nc(N2CCOCC2)sc1C(=O)NNC(=O)c1c[nH]c(=S)n1-c1ccccc1
InChIInChI=1S/C19H20N6O3S2/c1-12-15(30-19(21-12)24-7-9-28-10-8-24)17(27)23-22-16(26)14-11-20-18(29)25(14)13-5-3-2-4-6-13/h2-6,11H,7-10H2,1H3,(H,20,29)(H,22,26)(H,23,27)
InChIKeyUJQZQGTXUJYJEA-UHFFFAOYSA-N
MW444.54 g/mol
LogP2.21
Rot. Bonds4

About 4-methyl-2-morpholin-4-yl-N'-(3-phenyl-2-sulfanylidene-1H-imidazole-4-carbonyl)-1,3-thiazole-5-carbohydrazide

4-methyl-2-morpholin-4-yl-N'-(3-phenyl-2-sulfanylidene-1H-imidazole-4-carbonyl)-1,3-thiazole-5-carbohydrazide (PubChem CID 24553606) has the molecular formula C19H20N6O3S2 and a molecular weight of 444.54 g/mol. Its IUPAC name is 4-methyl-2-morpholin-4-yl-N'-(3-phenyl-2-sulfanylidene-1H-imidazole-4-carbonyl)-1,3-thiazole-5-carbohydrazide.

Molecular Properties

Compound Name4-methyl-2-morpholin-4-yl-N'-(3-phenyl-2-sulfanylidene-1H-imidazole-4-carbonyl)-1,3-thiazole-5-carbohydrazide
PubChem CID24553606
Molecular FormulaC19H20N6O3S2
Molecular Weight444.54 g/mol
Exact Mass444.10
IUPAC Name4-methyl-2-morpholin-4-yl-N'-(3-phenyl-2-sulfanylidene-1H-imidazole-4-carbonyl)-1,3-thiazole-5-carbohydrazide
SMILESCc1nc(N2CCOCC2)sc1C(=O)NNC(=O)c1c[nH]c(=S)n1-c1ccccc1
InChIInChI=1S/C19H20N6O3S2/c1-12-15(30-19(21-12)24-7-9-28-10-8-24)17(27)23-22-16(26)14-11-20-18(29)25(14)13-5-3-2-4-6-13/h2-6,11H,7-10H2,1H3,(H,20,29)(H,22,26)(H,23,27)
InChIKeyUJQZQGTXUJYJEA-UHFFFAOYSA-N
XLogP2.21
TPSA104.28 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-morpholin-4-yl-N'-(3-phenyl-2-sulfanylidene-1H-imidazole-4-carbonyl)-1,3-thiazole-5-carbohydrazide?
The IUPAC name of 4-methyl-2-morpholin-4-yl-N'-(3-phenyl-2-sulfanylidene-1H-imidazole-4-carbonyl)-1,3-thiazole-5-carbohydrazide (CID 24553606) is 4-methyl-2-morpholin-4-yl-N'-(3-phenyl-2-sulfanylidene-1H-imidazole-4-carbonyl)-1,3-thiazole-5-carbohydrazide.
What is the SMILES notation for 4-methyl-2-morpholin-4-yl-N'-(3-phenyl-2-sulfanylidene-1H-imidazole-4-carbonyl)-1,3-thiazole-5-carbohydrazide?
The canonical SMILES for 4-methyl-2-morpholin-4-yl-N'-(3-phenyl-2-sulfanylidene-1H-imidazole-4-carbonyl)-1,3-thiazole-5-carbohydrazide is Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)c1c[nH]c(=S)n1-c1ccccc1.
What is the InChIKey of 4-methyl-2-morpholin-4-yl-N'-(3-phenyl-2-sulfanylidene-1H-imidazole-4-carbonyl)-1,3-thiazole-5-carbohydrazide?
The InChIKey is UJQZQGTXUJYJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O3S2/c1-12-15(30-19(21-12)24-7-9-28-10-8-24)17(27)23-22-16(26)14-11-20-18(29)25(14)13-5-3-2-4-6-13/h2-6,11H,7-10H2,1H3,(H,20,29)(H,22,26)(H,23,27).
What are the key properties of 4-methyl-2-morpholin-4-yl-N'-(3-phenyl-2-sulfanylidene-1H-imidazole-4-carbonyl)-1,3-thiazole-5-carbohydrazide?
4-methyl-2-morpholin-4-yl-N'-(3-phenyl-2-sulfanylidene-1H-imidazole-4-carbonyl)-1,3-thiazole-5-carbohydrazide has a molecular weight of 444.54 g/mol, XLogP of 2.21, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-morpholin-4-yl-N'-(3-phenyl-2-sulfanylidene-1H-imidazole-4-carbonyl)-1,3-thiazole-5-carbohydrazide is sourced from PubChem (CID 24553606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).