[4-(2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetyl)phenyl]urea

C15H12N4O2S2 — CID 34111095

IUPAC[4-(2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetyl)phenyl]urea
SMILESNC(=O)Nc1ccc(C(=O)CSc2ncnc3ccsc23)cc1
InChIInChI=1S/C15H12N4O2S2/c16-15(21)19-10-3-1-9(2-4-10)12(20)7-23-14-13-11(5-6-22-13)17-8-18-14/h1-6,8H,7H2,(H3,16,19,21)
InChIKeyMYNIHNQEOVYMPC-UHFFFAOYSA-N
MW344.42 g/mol
LogP3.16
Rot. Bonds5

About [4-(2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetyl)phenyl]urea

[4-(2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetyl)phenyl]urea (PubChem CID 34111095) has the molecular formula C15H12N4O2S2 and a molecular weight of 344.42 g/mol. Its IUPAC name is [4-(2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetyl)phenyl]urea.

Molecular Properties

Compound Name[4-(2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetyl)phenyl]urea
PubChem CID34111095
Molecular FormulaC15H12N4O2S2
Molecular Weight344.42 g/mol
Exact Mass344.04
IUPAC Name[4-(2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetyl)phenyl]urea
SMILESNC(=O)Nc1ccc(C(=O)CSc2ncnc3ccsc23)cc1
InChIInChI=1S/C15H12N4O2S2/c16-15(21)19-10-3-1-9(2-4-10)12(20)7-23-14-13-11(5-6-22-13)17-8-18-14/h1-6,8H,7H2,(H3,16,19,21)
InChIKeyMYNIHNQEOVYMPC-UHFFFAOYSA-N
XLogP3.16
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [4-(2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetyl)phenyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-N-[4-(2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetyl)phenyl]propanamide
CID 34253042
1-(4-methylphenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylethanone
CID 34256425
1-(4-methylsulfonylphenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylethanone
CID 18123886
N-(4-fluorophenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide
CID 34245034
1-(3,4-dimethylphenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylethanone
CID 18123998
1-[4-(difluoromethoxy)phenyl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylethanone
CID 34245392
2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetic acid
CID 43236106
methyl 2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetate
CID 2808870
1-(1,3-benzodioxol-5-yl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylethanone
CID 51280422
N-[4-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)phenyl]acetamide
CID 2620993
4-(2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanoylamino)benzamide
CID 51280442
N-(3-bromophenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide
CID 34244719

Frequently Asked Questions

What is the IUPAC name of [4-(2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetyl)phenyl]urea?
The IUPAC name of [4-(2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetyl)phenyl]urea (CID 34111095) is [4-(2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetyl)phenyl]urea.
What is the SMILES notation for [4-(2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetyl)phenyl]urea?
The canonical SMILES for [4-(2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetyl)phenyl]urea is NC(=O)Nc1ccc(C(=O)CSc2ncnc3ccsc23)cc1.
What is the InChIKey of [4-(2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetyl)phenyl]urea?
The InChIKey is MYNIHNQEOVYMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O2S2/c16-15(21)19-10-3-1-9(2-4-10)12(20)7-23-14-13-11(5-6-22-13)17-8-18-14/h1-6,8H,7H2,(H3,16,19,21).
What are the key properties of [4-(2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetyl)phenyl]urea?
[4-(2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetyl)phenyl]urea has a molecular weight of 344.42 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetyl)phenyl]urea is sourced from PubChem (CID 34111095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).