1-(1,3-benzothiazol-2-yl)-3-[1-(furan-2-yl)ethyl]urea

C14H13N3O2S — CID 17456971

IUPAC1-(1,3-benzothiazol-2-yl)-3-[1-(furan-2-yl)ethyl]urea
SMILESCC(NC(=O)Nc1nc2ccccc2s1)c1ccco1
InChIInChI=1S/C14H13N3O2S/c1-9(11-6-4-8-19-11)15-13(18)17-14-16-10-5-2-3-7-12(10)20-14/h2-9H,1H3,(H2,15,16,17,18)
InChIKeyFDACZUCKOYRFJN-UHFFFAOYSA-N
MW287.34 g/mol
LogP3.77
Rot. Bonds3

About 1-(1,3-benzothiazol-2-yl)-3-[1-(furan-2-yl)ethyl]urea

1-(1,3-benzothiazol-2-yl)-3-[1-(furan-2-yl)ethyl]urea (PubChem CID 17456971) has the molecular formula C14H13N3O2S and a molecular weight of 287.34 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-2-yl)-3-[1-(furan-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-(1,3-benzothiazol-2-yl)-3-[1-(furan-2-yl)ethyl]urea
PubChem CID17456971
Molecular FormulaC14H13N3O2S
Molecular Weight287.34 g/mol
Exact Mass287.07
IUPAC Name1-(1,3-benzothiazol-2-yl)-3-[1-(furan-2-yl)ethyl]urea
SMILESCC(NC(=O)Nc1nc2ccccc2s1)c1ccco1
InChIInChI=1S/C14H13N3O2S/c1-9(11-6-4-8-19-11)15-13(18)17-14-16-10-5-2-3-7-12(10)20-14/h2-9H,1H3,(H2,15,16,17,18)
InChIKeyFDACZUCKOYRFJN-UHFFFAOYSA-N
XLogP3.77
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 ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-benzothiazol-2-yl)-3-[(2R,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]urea
CID 97224822
1-(1,3-benzothiazol-2-yl)-3-[(1R)-1-(1H-1,2,4-triazol-5-yl)ethyl]urea
CID 97158664
1-(1,3-benzothiazol-2-yl)-3-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]urea
CID 97158663
1-[(1S)-1-(furan-2-yl)ethyl]-3-phenylurea
CID 51473392
5-(1,3-benzothiazol-2-ylcarbamoylamino)hexanoic acid
CID 82847204
1-(1,3-benzothiazol-2-yl)-3-methylurea;molecular hydrogen
CID 143832534
1-(1,3-benzothiazol-2-yl)-3-(trideuteriomethyl)urea
CID 163322182
N-(1,3-benzothiazol-2-yl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]propanamide
CID 121076019
1-(1,3-benzothiazol-2-yl)-3-(1-morpholin-4-ylpropan-2-yl)urea
CID 51080589
N,N'-bis(1,3-benzothiazol-2-yl)oxamide
CID 591706
5-(1,3-benzothiazol-2-ylamino)-3-methyl-5-oxopentanoic acid
CID 55156366
[2-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 2-(1,3-benzothiazol-2-yl)benzoate
CID 9491487

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzothiazol-2-yl)-3-[1-(furan-2-yl)ethyl]urea?
The IUPAC name of 1-(1,3-benzothiazol-2-yl)-3-[1-(furan-2-yl)ethyl]urea (CID 17456971) is 1-(1,3-benzothiazol-2-yl)-3-[1-(furan-2-yl)ethyl]urea.
What is the SMILES notation for 1-(1,3-benzothiazol-2-yl)-3-[1-(furan-2-yl)ethyl]urea?
The canonical SMILES for 1-(1,3-benzothiazol-2-yl)-3-[1-(furan-2-yl)ethyl]urea is CC(NC(=O)Nc1nc2ccccc2s1)c1ccco1.
What is the InChIKey of 1-(1,3-benzothiazol-2-yl)-3-[1-(furan-2-yl)ethyl]urea?
The InChIKey is FDACZUCKOYRFJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S/c1-9(11-6-4-8-19-11)15-13(18)17-14-16-10-5-2-3-7-12(10)20-14/h2-9H,1H3,(H2,15,16,17,18).
What are the key properties of 1-(1,3-benzothiazol-2-yl)-3-[1-(furan-2-yl)ethyl]urea?
1-(1,3-benzothiazol-2-yl)-3-[1-(furan-2-yl)ethyl]urea has a molecular weight of 287.34 g/mol, XLogP of 3.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzothiazol-2-yl)-3-[1-(furan-2-yl)ethyl]urea is sourced from PubChem (CID 17456971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).