1-benzyl-3-[(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)amino]thiourea

C17H21N5O2S2 — CID 8768518

IUPAC1-benzyl-3-[(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)amino]thiourea
SMILESCc1nc(N2CCOCC2)sc1C(=O)NNC(=S)NCc1ccccc1
InChIInChI=1S/C17H21N5O2S2/c1-12-14(26-17(19-12)22-7-9-24-10-8-22)15(23)20-21-16(25)18-11-13-5-3-2-4-6-13/h2-6H,7-11H2,1H3,(H,20,23)(H2,18,21,25)
InChIKeyOJBFJUIMEAEQDW-UHFFFAOYSA-N
MW391.52 g/mol
LogP1.60
Rot. Bonds4

About 1-benzyl-3-[(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)amino]thiourea

1-benzyl-3-[(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)amino]thiourea (PubChem CID 8768518) has the molecular formula C17H21N5O2S2 and a molecular weight of 391.52 g/mol. Its IUPAC name is 1-benzyl-3-[(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)amino]thiourea.

Molecular Properties

Compound Name1-benzyl-3-[(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)amino]thiourea
PubChem CID8768518
Molecular FormulaC17H21N5O2S2
Molecular Weight391.52 g/mol
Exact Mass391.11
IUPAC Name1-benzyl-3-[(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)amino]thiourea
SMILESCc1nc(N2CCOCC2)sc1C(=O)NNC(=S)NCc1ccccc1
InChIInChI=1S/C17H21N5O2S2/c1-12-14(26-17(19-12)22-7-9-24-10-8-22)15(23)20-21-16(25)18-11-13-5-3-2-4-6-13/h2-6H,7-11H2,1H3,(H,20,23)(H2,18,21,25)
InChIKeyOJBFJUIMEAEQDW-UHFFFAOYSA-N
XLogP1.60
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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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Related Compounds

2-benzyl-4-methyl-N'-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)-1,3-thiazole-5-carbohydrazide
CID 39912237
1-[(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)amino]-3-(3-methylsulfanylpropyl)thiourea
CID 8768556
4-methyl-2-morpholin-4-yl-N'-(2-phenoxyacetyl)-1,3-thiazole-5-carbohydrazide
CID 26554798
4-methyl-2-morpholin-4-yl-N'-(2-phenylbutanoyl)-1,3-thiazole-5-carbohydrazide
CID 46532195
4-methyl-N'-[2-(4-methylphenyl)acetyl]-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide
CID 17446856
4-methyl-N'-(5-methylfuran-2-carbonyl)-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide
CID 25444482
N'-(3-chloro-1-benzothiophene-2-carbonyl)-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide
CID 25446089
N'-[2-(4-chlorophenyl)acetyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide
CID 25445255
4-methyl-2-morpholin-4-yl-N'-(thiophene-3-carbonyl)-1,3-thiazole-5-carbohydrazide
CID 25446747
1-benzyl-3-[[2-(2-morpholin-4-yl-1,3-thiazol-4-yl)acetyl]amino]thiourea
CID 8627730
N-[4-[2-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)hydrazinyl]-4-oxobutan-2-yl]benzamide
CID 55379424
4-methyl-2-morpholin-4-yl-N'-(3-phenyl-2-sulfanylidene-1H-imidazole-4-carbonyl)-1,3-thiazole-5-carbohydrazide
CID 24553606

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)amino]thiourea?
The IUPAC name of 1-benzyl-3-[(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)amino]thiourea (CID 8768518) is 1-benzyl-3-[(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)amino]thiourea.
What is the SMILES notation for 1-benzyl-3-[(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)amino]thiourea?
The canonical SMILES for 1-benzyl-3-[(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)amino]thiourea is Cc1nc(N2CCOCC2)sc1C(=O)NNC(=S)NCc1ccccc1.
What is the InChIKey of 1-benzyl-3-[(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)amino]thiourea?
The InChIKey is OJBFJUIMEAEQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2S2/c1-12-14(26-17(19-12)22-7-9-24-10-8-22)15(23)20-21-16(25)18-11-13-5-3-2-4-6-13/h2-6H,7-11H2,1H3,(H,20,23)(H2,18,21,25).
What are the key properties of 1-benzyl-3-[(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)amino]thiourea?
1-benzyl-3-[(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)amino]thiourea has a molecular weight of 391.52 g/mol, XLogP of 1.60, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)amino]thiourea is sourced from PubChem (CID 8768518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).