1-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-3-[2-(5-methylthiophen-2-yl)ethyl]urea

C14H14N4O2S2 — CID 31004511

IUPAC1-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-3-[2-(5-methylthiophen-2-yl)ethyl]urea
SMILESCc1ccc(CCNC(=O)Nc2nnc(-c3ccco3)s2)s1
InChIInChI=1S/C14H14N4O2S2/c1-9-4-5-10(21-9)6-7-15-13(19)16-14-18-17-12(22-14)11-3-2-8-20-11/h2-5,8H,6-7H2,1H3,(H2,15,16,18,19)
InChIKeyFXWMAAUUVGHOTE-UHFFFAOYSA-N
MW334.43 g/mol
LogP3.53
Rot. Bonds5

About 1-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-3-[2-(5-methylthiophen-2-yl)ethyl]urea

1-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-3-[2-(5-methylthiophen-2-yl)ethyl]urea (PubChem CID 31004511) has the molecular formula C14H14N4O2S2 and a molecular weight of 334.43 g/mol. Its IUPAC name is 1-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-3-[2-(5-methylthiophen-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-3-[2-(5-methylthiophen-2-yl)ethyl]urea
PubChem CID31004511
Molecular FormulaC14H14N4O2S2
Molecular Weight334.43 g/mol
Exact Mass334.06
IUPAC Name1-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-3-[2-(5-methylthiophen-2-yl)ethyl]urea
SMILESCc1ccc(CCNC(=O)Nc2nnc(-c3ccco3)s2)s1
InChIInChI=1S/C14H14N4O2S2/c1-9-4-5-10(21-9)6-7-15-13(19)16-14-18-17-12(22-14)11-3-2-8-20-11/h2-5,8H,6-7H2,1H3,(H2,15,16,18,19)
InChIKeyFXWMAAUUVGHOTE-UHFFFAOYSA-N
XLogP3.53
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.43
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-3-[2-(5-methylthiophen-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

Frequently Asked Questions

What is the IUPAC name of 1-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-3-[2-(5-methylthiophen-2-yl)ethyl]urea?
The IUPAC name of 1-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-3-[2-(5-methylthiophen-2-yl)ethyl]urea (CID 31004511) is 1-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-3-[2-(5-methylthiophen-2-yl)ethyl]urea.
What is the SMILES notation for 1-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-3-[2-(5-methylthiophen-2-yl)ethyl]urea?
The canonical SMILES for 1-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-3-[2-(5-methylthiophen-2-yl)ethyl]urea is Cc1ccc(CCNC(=O)Nc2nnc(-c3ccco3)s2)s1.
What is the InChIKey of 1-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-3-[2-(5-methylthiophen-2-yl)ethyl]urea?
The InChIKey is FXWMAAUUVGHOTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2S2/c1-9-4-5-10(21-9)6-7-15-13(19)16-14-18-17-12(22-14)11-3-2-8-20-11/h2-5,8H,6-7H2,1H3,(H2,15,16,18,19).
What are the key properties of 1-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-3-[2-(5-methylthiophen-2-yl)ethyl]urea?
1-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-3-[2-(5-methylthiophen-2-yl)ethyl]urea has a molecular weight of 334.43 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-3-[2-(5-methylthiophen-2-yl)ethyl]urea is sourced from PubChem (CID 31004511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).