1-[1-(furan-2-yl)-2-methoxyethyl]-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)urea

C15H19N3O3S — CID 71982872

IUPAC1-[1-(furan-2-yl)-2-methoxyethyl]-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)urea
SMILESCOCC(NC(=O)Nc1nc2c(s1)CCCC2)c1ccco1
InChIInChI=1S/C15H19N3O3S/c1-20-9-11(12-6-4-8-21-12)16-14(19)18-15-17-10-5-2-3-7-13(10)22-15/h4,6,8,11H,2-3,5,7,9H2,1H3,(H2,16,17,18,19)
InChIKeyDSDPLJQWZLSSQO-UHFFFAOYSA-N
MW321.40 g/mol
LogP3.12
Rot. Bonds5

About 1-[1-(furan-2-yl)-2-methoxyethyl]-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)urea

1-[1-(furan-2-yl)-2-methoxyethyl]-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)urea (PubChem CID 71982872) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is 1-[1-(furan-2-yl)-2-methoxyethyl]-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)urea.

Molecular Properties

Compound Name1-[1-(furan-2-yl)-2-methoxyethyl]-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)urea
PubChem CID71982872
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC Name1-[1-(furan-2-yl)-2-methoxyethyl]-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)urea
SMILESCOCC(NC(=O)Nc1nc2c(s1)CCCC2)c1ccco1
InChIInChI=1S/C15H19N3O3S/c1-20-9-11(12-6-4-8-21-12)16-14(19)18-15-17-10-5-2-3-7-13(10)22-15/h4,6,8,11H,2-3,5,7,9H2,1H3,(H2,16,17,18,19)
InChIKeyDSDPLJQWZLSSQO-UHFFFAOYSA-N
XLogP3.12
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[1-(furan-2-yl)-2-methoxyethyl]-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)urea with MolForge

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Related Compounds

1-[1-(4-methoxyphenyl)propyl]-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)urea
CID 112824649
1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-[1-(furan-2-yl)-2-methoxyethyl]urea
CID 71865664
1-[1-(1-benzofuran-2-yl)ethyl]-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)urea
CID 112824641
N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-2-methoxyacetamide
CID 47379488
(2S,3R)-3-hydroxy-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylcarbamoylamino)butanoic acid
CID 104966049
2-methoxy-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 5107128
1-[cyclopropyl(phenyl)methyl]-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)urea
CID 112824571
1-[1-(furan-2-yl)-2-methoxyethyl]-3-(1H-indol-4-yl)urea
CID 71865827
N-[2-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-ylamino)-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 47070902
1-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)urea
CID 112825059
N-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)acetamide
CID 930096
1-[1-(furan-2-yl)-2-methoxyethyl]-3-(4-hydroxycyclohexyl)urea
CID 111566418

Frequently Asked Questions

What is the IUPAC name of 1-[1-(furan-2-yl)-2-methoxyethyl]-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)urea?
The IUPAC name of 1-[1-(furan-2-yl)-2-methoxyethyl]-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)urea (CID 71982872) is 1-[1-(furan-2-yl)-2-methoxyethyl]-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)urea.
What is the SMILES notation for 1-[1-(furan-2-yl)-2-methoxyethyl]-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)urea?
The canonical SMILES for 1-[1-(furan-2-yl)-2-methoxyethyl]-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)urea is COCC(NC(=O)Nc1nc2c(s1)CCCC2)c1ccco1.
What is the InChIKey of 1-[1-(furan-2-yl)-2-methoxyethyl]-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)urea?
The InChIKey is DSDPLJQWZLSSQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-20-9-11(12-6-4-8-21-12)16-14(19)18-15-17-10-5-2-3-7-13(10)22-15/h4,6,8,11H,2-3,5,7,9H2,1H3,(H2,16,17,18,19).
What are the key properties of 1-[1-(furan-2-yl)-2-methoxyethyl]-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)urea?
1-[1-(furan-2-yl)-2-methoxyethyl]-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)urea has a molecular weight of 321.40 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(furan-2-yl)-2-methoxyethyl]-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)urea is sourced from PubChem (CID 71982872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).