1-(furan-2-ylcarbamoyl)-1-(1,3-thiazol-2-yl)-3-thiophen-2-ylurea

C13H10N4O3S2 — CID 141115058

IUPAC1-(furan-2-ylcarbamoyl)-1-(1,3-thiazol-2-yl)-3-thiophen-2-ylurea
SMILESO=C(Nc1ccco1)N(C(=O)Nc1cccs1)c1nccs1
InChIInChI=1S/C13H10N4O3S2/c18-11(15-9-3-1-6-20-9)17(13-14-5-8-22-13)12(19)16-10-4-2-7-21-10/h1-8H,(H,15,18)(H,16,19)
InChIKeyQETOSDWSVCRHMW-UHFFFAOYSA-N
MW334.38 g/mol
LogP4.07
Rot. Bonds3

About 1-(furan-2-ylcarbamoyl)-1-(1,3-thiazol-2-yl)-3-thiophen-2-ylurea

1-(furan-2-ylcarbamoyl)-1-(1,3-thiazol-2-yl)-3-thiophen-2-ylurea (PubChem CID 141115058) has the molecular formula C13H10N4O3S2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 1-(furan-2-ylcarbamoyl)-1-(1,3-thiazol-2-yl)-3-thiophen-2-ylurea.

Molecular Properties

Compound Name1-(furan-2-ylcarbamoyl)-1-(1,3-thiazol-2-yl)-3-thiophen-2-ylurea
PubChem CID141115058
Molecular FormulaC13H10N4O3S2
Molecular Weight334.38 g/mol
Exact Mass334.02
IUPAC Name1-(furan-2-ylcarbamoyl)-1-(1,3-thiazol-2-yl)-3-thiophen-2-ylurea
SMILESO=C(Nc1ccco1)N(C(=O)Nc1cccs1)c1nccs1
InChIInChI=1S/C13H10N4O3S2/c18-11(15-9-3-1-6-20-9)17(13-14-5-8-22-13)12(19)16-10-4-2-7-21-10/h1-8H,(H,15,18)(H,16,19)
InChIKeyQETOSDWSVCRHMW-UHFFFAOYSA-N
XLogP4.07
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylcarbamoyl)-1-(1,3-thiazol-2-yl)-3-thiophen-2-ylurea?
The IUPAC name of 1-(furan-2-ylcarbamoyl)-1-(1,3-thiazol-2-yl)-3-thiophen-2-ylurea (CID 141115058) is 1-(furan-2-ylcarbamoyl)-1-(1,3-thiazol-2-yl)-3-thiophen-2-ylurea.
What is the SMILES notation for 1-(furan-2-ylcarbamoyl)-1-(1,3-thiazol-2-yl)-3-thiophen-2-ylurea?
The canonical SMILES for 1-(furan-2-ylcarbamoyl)-1-(1,3-thiazol-2-yl)-3-thiophen-2-ylurea is O=C(Nc1ccco1)N(C(=O)Nc1cccs1)c1nccs1.
What is the InChIKey of 1-(furan-2-ylcarbamoyl)-1-(1,3-thiazol-2-yl)-3-thiophen-2-ylurea?
The InChIKey is QETOSDWSVCRHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O3S2/c18-11(15-9-3-1-6-20-9)17(13-14-5-8-22-13)12(19)16-10-4-2-7-21-10/h1-8H,(H,15,18)(H,16,19).
What are the key properties of 1-(furan-2-ylcarbamoyl)-1-(1,3-thiazol-2-yl)-3-thiophen-2-ylurea?
1-(furan-2-ylcarbamoyl)-1-(1,3-thiazol-2-yl)-3-thiophen-2-ylurea has a molecular weight of 334.38 g/mol, XLogP of 4.07, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylcarbamoyl)-1-(1,3-thiazol-2-yl)-3-thiophen-2-ylurea is sourced from PubChem (CID 141115058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).