1-benzyl-3-[[2-(2-morpholin-4-yl-1,3-thiazol-4-yl)acetyl]amino]thiourea

C17H21N5O2S2 — CID 8627730

IUPAC1-benzyl-3-[[2-(2-morpholin-4-yl-1,3-thiazol-4-yl)acetyl]amino]thiourea
SMILESO=C(Cc1csc(N2CCOCC2)n1)NNC(=S)NCc1ccccc1
InChIInChI=1S/C17H21N5O2S2/c23-15(20-21-16(25)18-11-13-4-2-1-3-5-13)10-14-12-26-17(19-14)22-6-8-24-9-7-22/h1-5,12H,6-11H2,(H,20,23)(H2,18,21,25)
InChIKeyDWKKLZWVECTMTJ-UHFFFAOYSA-N
MW391.52 g/mol
LogP1.22
Rot. Bonds5

About 1-benzyl-3-[[2-(2-morpholin-4-yl-1,3-thiazol-4-yl)acetyl]amino]thiourea

1-benzyl-3-[[2-(2-morpholin-4-yl-1,3-thiazol-4-yl)acetyl]amino]thiourea (PubChem CID 8627730) has the molecular formula C17H21N5O2S2 and a molecular weight of 391.52 g/mol. Its IUPAC name is 1-benzyl-3-[[2-(2-morpholin-4-yl-1,3-thiazol-4-yl)acetyl]amino]thiourea.

Molecular Properties

Compound Name1-benzyl-3-[[2-(2-morpholin-4-yl-1,3-thiazol-4-yl)acetyl]amino]thiourea
PubChem CID8627730
Molecular FormulaC17H21N5O2S2
Molecular Weight391.52 g/mol
Exact Mass391.11
IUPAC Name1-benzyl-3-[[2-(2-morpholin-4-yl-1,3-thiazol-4-yl)acetyl]amino]thiourea
SMILESO=C(Cc1csc(N2CCOCC2)n1)NNC(=S)NCc1ccccc1
InChIInChI=1S/C17H21N5O2S2/c23-15(20-21-16(25)18-11-13-4-2-1-3-5-13)10-14-12-26-17(19-14)22-6-8-24-9-7-22/h1-5,12H,6-11H2,(H,20,23)(H2,18,21,25)
InChIKeyDWKKLZWVECTMTJ-UHFFFAOYSA-N
XLogP1.22
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 51.22
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

1-benzyl-3-[(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)amino]thiourea
CID 8768518
N'-[2-(2-morpholin-4-yl-1,3-thiazol-4-yl)acetyl]-1-phenylpyrazole-4-carbohydrazide
CID 9278448
1-[(4-fluorophenyl)methyl]-3-[[2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetyl]amino]thiourea
CID 8943014
N'-(4-methylphenyl)sulfonyl-2-(2-morpholin-4-yl-1,3-thiazol-4-yl)acetohydrazide
CID 8505665
1-benzyl-3-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]thiourea
CID 16823466
N-[4-(hydroxymethyl)-2-pyridinyl]-2-(2-morpholin-4-yl-1,3-thiazol-4-yl)acetamide
CID 154784296
4-ethyl-N'-[2-(2-morpholin-4-yl-1,3-thiazol-4-yl)acetyl]-5-propylthiophene-2-carbohydrazide
CID 9278398
1-benzyl-3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]thiourea
CID 18271886
2-(2-morpholin-4-yl-1,3-thiazol-4-yl)-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]acetamide
CID 8978718
5-acetyl-N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]thiophene-2-carboxamide
CID 91768510
2-methyl-N-[2-[2-(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)hydrazinyl]-2-oxoethyl]benzamide
CID 55346400
N-[(benzylcarbamothioylamino)carbamothioyl]-2-phenylacetamide
CID 14221149

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[[2-(2-morpholin-4-yl-1,3-thiazol-4-yl)acetyl]amino]thiourea?
The IUPAC name of 1-benzyl-3-[[2-(2-morpholin-4-yl-1,3-thiazol-4-yl)acetyl]amino]thiourea (CID 8627730) is 1-benzyl-3-[[2-(2-morpholin-4-yl-1,3-thiazol-4-yl)acetyl]amino]thiourea.
What is the SMILES notation for 1-benzyl-3-[[2-(2-morpholin-4-yl-1,3-thiazol-4-yl)acetyl]amino]thiourea?
The canonical SMILES for 1-benzyl-3-[[2-(2-morpholin-4-yl-1,3-thiazol-4-yl)acetyl]amino]thiourea is O=C(Cc1csc(N2CCOCC2)n1)NNC(=S)NCc1ccccc1.
What is the InChIKey of 1-benzyl-3-[[2-(2-morpholin-4-yl-1,3-thiazol-4-yl)acetyl]amino]thiourea?
The InChIKey is DWKKLZWVECTMTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2S2/c23-15(20-21-16(25)18-11-13-4-2-1-3-5-13)10-14-12-26-17(19-14)22-6-8-24-9-7-22/h1-5,12H,6-11H2,(H,20,23)(H2,18,21,25).
What are the key properties of 1-benzyl-3-[[2-(2-morpholin-4-yl-1,3-thiazol-4-yl)acetyl]amino]thiourea?
1-benzyl-3-[[2-(2-morpholin-4-yl-1,3-thiazol-4-yl)acetyl]amino]thiourea has a molecular weight of 391.52 g/mol, XLogP of 1.22, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[[2-(2-morpholin-4-yl-1,3-thiazol-4-yl)acetyl]amino]thiourea is sourced from PubChem (CID 8627730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).