1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]urea

C18H21N5O5S — CID 42928175

IUPAC1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]urea
SMILESO=C(NCC1COc2ccccc2O1)NNC(=O)c1csc(N2CCOCC2)n1
InChIInChI=1S/C18H21N5O5S/c24-16(13-11-29-18(20-13)23-5-7-26-8-6-23)21-22-17(25)19-9-12-10-27-14-3-1-2-4-15(14)28-12/h1-4,11-12H,5-10H2,(H,21,24)(H2,19,22,25)
InChIKeyBEUDEYPEZNOACR-UHFFFAOYSA-N
MW419.46 g/mol
LogP0.76
Rot. Bonds4

About 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]urea

1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]urea (PubChem CID 42928175) has the molecular formula C18H21N5O5S and a molecular weight of 419.46 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]urea.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]urea
PubChem CID42928175
Molecular FormulaC18H21N5O5S
Molecular Weight419.46 g/mol
Exact Mass419.13
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]urea
SMILESO=C(NCC1COc2ccccc2O1)NNC(=O)c1csc(N2CCOCC2)n1
InChIInChI=1S/C18H21N5O5S/c24-16(13-11-29-18(20-13)23-5-7-26-8-6-23)21-22-17(25)19-9-12-10-27-14-3-1-2-4-15(14)28-12/h1-4,11-12H,5-10H2,(H,21,24)(H2,19,22,25)
InChIKeyBEUDEYPEZNOACR-UHFFFAOYSA-N
XLogP0.76
TPSA114.05 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)urea
CID 38168221
1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)urea
CID 38168219
1-benzamido-3-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]urea
CID 38169413
N'-(cyclopropanecarbonyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
CID 17439911
2-methyl-N-[2-[2-(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)hydrazinyl]-2-oxoethyl]benzamide
CID 55346400
2-morpholin-4-yl-N'-(thiophene-2-carbonyl)-1,3-thiazole-4-carbohydrazide
CID 18120603
2-morpholin-4-yl-N'-(1-phenylcyclopropanecarbonyl)-1,3-thiazole-4-carbohydrazide
CID 32810379
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-morpholin-4-yl-2-oxoacetamide
CID 2237644
N'-(2-ethoxypyridine-3-carbonyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
CID 18120604
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-morpholin-4-ylpropanamide
CID 45154797
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pyridine-2-carboxamide
CID 47005050
4-tert-butyl-N-[2-[2-(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)hydrazinyl]-2-oxoethyl]benzamide
CID 31718296

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]urea?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]urea (CID 42928175) is 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]urea.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]urea?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]urea is O=C(NCC1COc2ccccc2O1)NNC(=O)c1csc(N2CCOCC2)n1.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]urea?
The InChIKey is BEUDEYPEZNOACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O5S/c24-16(13-11-29-18(20-13)23-5-7-26-8-6-23)21-22-17(25)19-9-12-10-27-14-3-1-2-4-15(14)28-12/h1-4,11-12H,5-10H2,(H,21,24)(H2,19,22,25).
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]urea?
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]urea has a molecular weight of 419.46 g/mol, XLogP of 0.76, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]urea is sourced from PubChem (CID 42928175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).