1,1,3,3-tetrathiophen-2-ylurea

C17H12N2OS4 — CID 19774771

IUPAC1,1,3,3-tetrathiophen-2-ylurea
SMILESO=C(N(c1cccs1)c1cccs1)N(c1cccs1)c1cccs1
InChIInChI=1S/C17H12N2OS4/c20-17(18(13-5-1-9-21-13)14-6-2-10-22-14)19(15-7-3-11-23-15)16-8-4-12-24-16/h1-12H
InChIKeyGTYSCTMXZBWZQG-UHFFFAOYSA-N
MW388.56 g/mol
LogP7.03
Rot. Bonds4

About 1,1,3,3-tetrathiophen-2-ylurea

1,1,3,3-tetrathiophen-2-ylurea (PubChem CID 19774771) has the molecular formula C17H12N2OS4 and a molecular weight of 388.56 g/mol. Its IUPAC name is 1,1,3,3-tetrathiophen-2-ylurea.

Molecular Properties

Compound Name1,1,3,3-tetrathiophen-2-ylurea
PubChem CID19774771
Molecular FormulaC17H12N2OS4
Molecular Weight388.56 g/mol
Exact Mass387.98
IUPAC Name1,1,3,3-tetrathiophen-2-ylurea
SMILESO=C(N(c1cccs1)c1cccs1)N(c1cccs1)c1cccs1
InChIInChI=1S/C17H12N2OS4/c20-17(18(13-5-1-9-21-13)14-6-2-10-22-14)19(15-7-3-11-23-15)16-8-4-12-24-16/h1-12H
InChIKeyGTYSCTMXZBWZQG-UHFFFAOYSA-N
XLogP7.03
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.56
LogP ≤ 57.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-ethylphenyl)-3-methoxy-3-methyl-1-thiophen-2-ylurea
CID 88670818
(2-iodophenyl)-thiophen-2-ylcarbamic acid
CID 175420370
methyl 2-methyl-2-[methyl(thiophen-2-yl)amino]propanoate
CID 115128321
(4-methoxy-N-thiophen-2-ylanilino) acetate
CID 175099311
3-diazo-1-phenyl-1-thiophen-2-ylurea
CID 151516655
1,3-dimethyl-1-thiophen-2-ylurea
CID 115168951
2-hydroxy-N-methyl-N-thiophen-2-ylpropanamide
CID 115140457
N-(2-chloro-4-hydroxyphenyl)-N-thiophen-2-ylacetamide
CID 70449677
1-thiophen-2-ylethenyl N,N-dimethylcarbamate
CID 102228105
2-[methyl(thiophen-2-yl)carbamoyl]propanedioic acid
CID 175014913
3-[methyl(thiophen-2-yl)amino]benzoic acid
CID 117043052
N-methyl-4-oxo-N-thiophen-2-ylpentanamide
CID 115176753

Frequently Asked Questions

What is the IUPAC name of 1,1,3,3-tetrathiophen-2-ylurea?
The IUPAC name of 1,1,3,3-tetrathiophen-2-ylurea (CID 19774771) is 1,1,3,3-tetrathiophen-2-ylurea.
What is the SMILES notation for 1,1,3,3-tetrathiophen-2-ylurea?
The canonical SMILES for 1,1,3,3-tetrathiophen-2-ylurea is O=C(N(c1cccs1)c1cccs1)N(c1cccs1)c1cccs1.
What is the InChIKey of 1,1,3,3-tetrathiophen-2-ylurea?
The InChIKey is GTYSCTMXZBWZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2OS4/c20-17(18(13-5-1-9-21-13)14-6-2-10-22-14)19(15-7-3-11-23-15)16-8-4-12-24-16/h1-12H.
What are the key properties of 1,1,3,3-tetrathiophen-2-ylurea?
1,1,3,3-tetrathiophen-2-ylurea has a molecular weight of 388.56 g/mol, XLogP of 7.03, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,3-tetrathiophen-2-ylurea is sourced from PubChem (CID 19774771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).