1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]urea

C15H18N4O3S — CID 118769080

IUPAC1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]urea
SMILESCc1nnc(CCNC(=O)Nc2cc3c(cc2C)OCCO3)s1
InChIInChI=1S/C15H18N4O3S/c1-9-7-12-13(22-6-5-21-12)8-11(9)17-15(20)16-4-3-14-19-18-10(2)23-14/h7-8H,3-6H2,1-2H3,(H2,16,17,20)
InChIKeyBWTCFRCQWUFSCS-UHFFFAOYSA-N
MW334.40 g/mol
LogP2.29
Rot. Bonds4

About 1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]urea

1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]urea (PubChem CID 118769080) has the molecular formula C15H18N4O3S and a molecular weight of 334.40 g/mol. Its IUPAC name is 1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]urea
PubChem CID118769080
Molecular FormulaC15H18N4O3S
Molecular Weight334.40 g/mol
Exact Mass334.11
IUPAC Name1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]urea
SMILESCc1nnc(CCNC(=O)Nc2cc3c(cc2C)OCCO3)s1
InChIInChI=1S/C15H18N4O3S/c1-9-7-12-13(22-6-5-21-12)8-11(9)17-15(20)16-4-3-14-19-18-10(2)23-14/h7-8H,3-6H2,1-2H3,(H2,16,17,20)
InChIKeyBWTCFRCQWUFSCS-UHFFFAOYSA-N
XLogP2.29
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]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-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-3-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)urea
CID 74248536
1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(5-methylpyrazin-2-yl)methyl]urea
CID 74231193
1-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-3-(2,4,6-trimethyl-3-pyridinyl)urea
CID 72856962
1-methyl-3-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)urea
CID 115168904
1-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-3-(6,7,8,9-tetrahydrodibenzofuran-4-yl)urea
CID 118785518
1-[(3R)-5-methyl-2,3-dihydro-1-benzofuran-3-yl]-3-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]urea
CID 164633831
2-ethyl-N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)butanamide
CID 110778000
N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl bromide
CID 115193287
(4S)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-2,3,4,5-tetrahydro-1-benzoxepine-4-carboxamide
CID 97434258
2-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxoacetic acid
CID 82496946
methyl N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]carbamate
CID 110870268
ethyl N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)carbamate
CID 110778029

Frequently Asked Questions

What is the IUPAC name of 1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]urea?
The IUPAC name of 1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]urea (CID 118769080) is 1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]urea.
What is the SMILES notation for 1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]urea?
The canonical SMILES for 1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]urea is Cc1nnc(CCNC(=O)Nc2cc3c(cc2C)OCCO3)s1.
What is the InChIKey of 1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]urea?
The InChIKey is BWTCFRCQWUFSCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3S/c1-9-7-12-13(22-6-5-21-12)8-11(9)17-15(20)16-4-3-14-19-18-10(2)23-14/h7-8H,3-6H2,1-2H3,(H2,16,17,20).
What are the key properties of 1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]urea?
1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]urea has a molecular weight of 334.40 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]urea is sourced from PubChem (CID 118769080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).