1-(1,3-benzodioxol-5-yl)-3-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]urea

C19H17N3O3S — CID 90546597

IUPAC1-(1,3-benzodioxol-5-yl)-3-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]urea
SMILESCc1nc(-c2ccccc2)sc1CNC(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C19H17N3O3S/c1-12-17(26-18(21-12)13-5-3-2-4-6-13)10-20-19(23)22-14-7-8-15-16(9-14)25-11-24-15/h2-9H,10-11H2,1H3,(H2,20,22,23)
InChIKeyMEFNOHUPMNXHAP-UHFFFAOYSA-N
MW367.43 g/mol
LogP4.17
Rot. Bonds4

About 1-(1,3-benzodioxol-5-yl)-3-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]urea

1-(1,3-benzodioxol-5-yl)-3-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]urea (PubChem CID 90546597) has the molecular formula C19H17N3O3S and a molecular weight of 367.43 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-3-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]urea.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-3-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]urea
PubChem CID90546597
Molecular FormulaC19H17N3O3S
Molecular Weight367.43 g/mol
Exact Mass367.10
IUPAC Name1-(1,3-benzodioxol-5-yl)-3-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]urea
SMILESCc1nc(-c2ccccc2)sc1CNC(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C19H17N3O3S/c1-12-17(26-18(21-12)13-5-3-2-4-6-13)10-20-19(23)22-14-7-8-15-16(9-14)25-11-24-15/h2-9H,10-11H2,1H3,(H2,20,22,23)
InChIKeyMEFNOHUPMNXHAP-UHFFFAOYSA-N
XLogP4.17
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(1,3-benzodioxol-5-yl)-3-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]urea with MolForge

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Related Compounds

1-(4-butoxyphenyl)-3-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]urea
CID 90546629
N-(1,3-benzodioxol-5-ylmethyl)-2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]acetamide
CID 110329647
1-(2,4-dichlorophenyl)-3-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]urea
CID 90546628
1-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-3-(thiophen-2-ylmethyl)urea
CID 71795363
1-(1,3-benzodioxol-5-yl)-3-[(5-phenyl-1H-imidazol-2-yl)methyl]urea
CID 86867482
1-(1,3-benzodioxol-5-yl)-3-[(2-chlorophenyl)methyl]urea
CID 35524616
1-(1,3-benzodioxol-5-yl)-3-[[2-(2-methylphenyl)-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl]urea
CID 46320950
1-(3-fluorophenyl)-3-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]urea
CID 90547279
1-(1,3-benzodioxol-5-yl)-3-(thiophen-2-ylmethyl)urea
CID 970506
1-(1,3-benzodioxol-5-yl)-3-[(2-bromophenyl)methyl]urea
CID 1245708
1-(3-chloro-4-methylphenyl)-3-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]urea
CID 90547317
N-(1,3-benzodioxol-5-yl)-2-benzyl-4-phenyl-1,3-thiazole-5-carboxamide
CID 24505672

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-3-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]urea?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-3-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]urea (CID 90546597) is 1-(1,3-benzodioxol-5-yl)-3-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]urea.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-3-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]urea?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-3-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]urea is Cc1nc(-c2ccccc2)sc1CNC(=O)Nc1ccc2c(c1)OCO2.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-3-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]urea?
The InChIKey is MEFNOHUPMNXHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3S/c1-12-17(26-18(21-12)13-5-3-2-4-6-13)10-20-19(23)22-14-7-8-15-16(9-14)25-11-24-15/h2-9H,10-11H2,1H3,(H2,20,22,23).
What are the key properties of 1-(1,3-benzodioxol-5-yl)-3-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]urea?
1-(1,3-benzodioxol-5-yl)-3-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]urea has a molecular weight of 367.43 g/mol, XLogP of 4.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-3-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]urea is sourced from PubChem (CID 90546597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).