1-(furan-2-ylmethyl)-3-(2-methyl-1,3-benzothiazol-6-yl)urea

C14H13N3O2S — CID 972621

IUPAC1-(furan-2-ylmethyl)-3-(2-methyl-1,3-benzothiazol-6-yl)urea
SMILESCc1nc2ccc(NC(=O)NCc3ccco3)cc2s1
InChIInChI=1S/C14H13N3O2S/c1-9-16-12-5-4-10(7-13(12)20-9)17-14(18)15-8-11-3-2-6-19-11/h2-7H,8H2,1H3,(H2,15,17,18)
InChIKeyMKCGLNSUYNTNGK-UHFFFAOYSA-N
MW287.34 g/mol
LogP3.52
Rot. Bonds3

About 1-(furan-2-ylmethyl)-3-(2-methyl-1,3-benzothiazol-6-yl)urea

1-(furan-2-ylmethyl)-3-(2-methyl-1,3-benzothiazol-6-yl)urea (PubChem CID 972621) has the molecular formula C14H13N3O2S and a molecular weight of 287.34 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-3-(2-methyl-1,3-benzothiazol-6-yl)urea.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-3-(2-methyl-1,3-benzothiazol-6-yl)urea
PubChem CID972621
Molecular FormulaC14H13N3O2S
Molecular Weight287.34 g/mol
Exact Mass287.07
IUPAC Name1-(furan-2-ylmethyl)-3-(2-methyl-1,3-benzothiazol-6-yl)urea
SMILESCc1nc2ccc(NC(=O)NCc3ccco3)cc2s1
InChIInChI=1S/C14H13N3O2S/c1-9-16-12-5-4-10(7-13(12)20-9)17-14(18)15-8-11-3-2-6-19-11/h2-7H,8H2,1H3,(H2,15,17,18)
InChIKeyMKCGLNSUYNTNGK-UHFFFAOYSA-N
XLogP3.52
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-1,3-benzothiazol-2-amine
CID 944851
N-(6-acetamido-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 958627
N-(1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 715680
N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)furan-2-carboxamide
CID 4646592
2-(1,3-Benzothiazol-2-yl)-2-[1-(furan-2-ylmethyl)-2,6-dimethylpyridin-4-ylidene]acetonitrile
CID 2308215
Furan-2-carboxylic acid 4-benzothiazol-2-yl-benzylamide
CID 2979650
5-bromo-N-(2-methyl-1,3-benzothiazol-6-yl)furan-2-carboxamide
CID 2101616
N-(1,3-benzothiazol-2-yl)-N-(2-methylpropyl)furan-2-carboxamide
CID 2414029
2-(Furan-2-yl)-1,3-benzothiazole
CID 233991
(E)-3-(5-Benzothiazol-2-yl-furan-2-yl)-2-cyano-acrylamide
CID 940742
(E)-3-(5-Benzothiazol-2-yl-furan-2-yl)-2-cyano-N-methyl-acrylamide
CID 946504
N-{[(6-fluoro-1,3-benzothiazol-2-yl)amino]carbonothioyl}-2-furamide
CID 953520

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-3-(2-methyl-1,3-benzothiazol-6-yl)urea?
The IUPAC name of 1-(furan-2-ylmethyl)-3-(2-methyl-1,3-benzothiazol-6-yl)urea (CID 972621) is 1-(furan-2-ylmethyl)-3-(2-methyl-1,3-benzothiazol-6-yl)urea.
What is the SMILES notation for 1-(furan-2-ylmethyl)-3-(2-methyl-1,3-benzothiazol-6-yl)urea?
The canonical SMILES for 1-(furan-2-ylmethyl)-3-(2-methyl-1,3-benzothiazol-6-yl)urea is Cc1nc2ccc(NC(=O)NCc3ccco3)cc2s1.
What is the InChIKey of 1-(furan-2-ylmethyl)-3-(2-methyl-1,3-benzothiazol-6-yl)urea?
The InChIKey is MKCGLNSUYNTNGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S/c1-9-16-12-5-4-10(7-13(12)20-9)17-14(18)15-8-11-3-2-6-19-11/h2-7H,8H2,1H3,(H2,15,17,18).
What are the key properties of 1-(furan-2-ylmethyl)-3-(2-methyl-1,3-benzothiazol-6-yl)urea?
1-(furan-2-ylmethyl)-3-(2-methyl-1,3-benzothiazol-6-yl)urea has a molecular weight of 287.34 g/mol, XLogP of 3.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-3-(2-methyl-1,3-benzothiazol-6-yl)urea is sourced from PubChem (CID 972621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).