1-(2-methyl-4-pyrimidin-2-ylsulfanylphenyl)-3-(thiophen-2-ylmethyl)urea

C17H16N4OS2 — CID 60620217

IUPAC1-(2-methyl-4-pyrimidin-2-ylsulfanylphenyl)-3-(thiophen-2-ylmethyl)urea
SMILESCc1cc(Sc2ncccn2)ccc1NC(=O)NCc1cccs1
InChIInChI=1S/C17H16N4OS2/c1-12-10-13(24-17-18-7-3-8-19-17)5-6-15(12)21-16(22)20-11-14-4-2-9-23-14/h2-10H,11H2,1H3,(H2,20,21,22)
InChIKeyHCNZRKQJNUKGDW-UHFFFAOYSA-N
MW356.48 g/mol
LogP4.32
Rot. Bonds5

About 1-(2-methyl-4-pyrimidin-2-ylsulfanylphenyl)-3-(thiophen-2-ylmethyl)urea

1-(2-methyl-4-pyrimidin-2-ylsulfanylphenyl)-3-(thiophen-2-ylmethyl)urea (PubChem CID 60620217) has the molecular formula C17H16N4OS2 and a molecular weight of 356.48 g/mol. Its IUPAC name is 1-(2-methyl-4-pyrimidin-2-ylsulfanylphenyl)-3-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name1-(2-methyl-4-pyrimidin-2-ylsulfanylphenyl)-3-(thiophen-2-ylmethyl)urea
PubChem CID60620217
Molecular FormulaC17H16N4OS2
Molecular Weight356.48 g/mol
Exact Mass356.08
IUPAC Name1-(2-methyl-4-pyrimidin-2-ylsulfanylphenyl)-3-(thiophen-2-ylmethyl)urea
SMILESCc1cc(Sc2ncccn2)ccc1NC(=O)NCc1cccs1
InChIInChI=1S/C17H16N4OS2/c1-12-10-13(24-17-18-7-3-8-19-17)5-6-15(12)21-16(22)20-11-14-4-2-9-23-14/h2-10H,11H2,1H3,(H2,20,21,22)
InChIKeyHCNZRKQJNUKGDW-UHFFFAOYSA-N
XLogP4.32
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.48
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methyl-4-pyrimidin-2-ylsulfanylphenyl)-3-prop-2-enylurea
CID 60620266
1-(2,2-dimethyl-1-thiophen-2-ylpropyl)-3-(2-methyl-4-pyrimidin-2-ylsulfanylphenyl)urea
CID 56554386
1-[[2-(ethoxymethyl)phenyl]methyl]-3-(2-methyl-4-pyrimidin-2-ylsulfanylphenyl)urea
CID 56554681
1-(3-methyl-2-pyridinyl)-3-(thiophen-2-ylmethyl)urea
CID 47236047
(1S)-2,2-dichloro-1-methyl-N-(2-methyl-4-pyrimidin-2-ylsulfanylphenyl)cyclopropane-1-carboxamide
CID 52532467
1-(3-chloro-2-methyl-4-pyridinyl)-3-(thiophen-2-ylmethyl)urea
CID 86789194
1-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(2-methyl-4-pyrimidin-2-ylsulfanylphenyl)urea
CID 56554771
1-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-3-(thiophen-2-ylmethyl)urea
CID 52732394
1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(2-methyl-4-pyrimidin-2-ylsulfanylphenyl)urea
CID 56554744
1-[(1S)-1-(3-bromophenyl)ethyl]-3-(2-methyl-4-pyrimidin-2-ylsulfanylphenyl)urea
CID 52528425
1-(pyridin-2-ylmethyl)-3-(thiophen-2-ylmethyl)urea
CID 47125825
1-[1-(2,4-difluorophenyl)ethyl]-3-(2-methyl-4-pyrimidin-2-ylsulfanylphenyl)urea
CID 56554743

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-4-pyrimidin-2-ylsulfanylphenyl)-3-(thiophen-2-ylmethyl)urea?
The IUPAC name of 1-(2-methyl-4-pyrimidin-2-ylsulfanylphenyl)-3-(thiophen-2-ylmethyl)urea (CID 60620217) is 1-(2-methyl-4-pyrimidin-2-ylsulfanylphenyl)-3-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 1-(2-methyl-4-pyrimidin-2-ylsulfanylphenyl)-3-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 1-(2-methyl-4-pyrimidin-2-ylsulfanylphenyl)-3-(thiophen-2-ylmethyl)urea is Cc1cc(Sc2ncccn2)ccc1NC(=O)NCc1cccs1.
What is the InChIKey of 1-(2-methyl-4-pyrimidin-2-ylsulfanylphenyl)-3-(thiophen-2-ylmethyl)urea?
The InChIKey is HCNZRKQJNUKGDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4OS2/c1-12-10-13(24-17-18-7-3-8-19-17)5-6-15(12)21-16(22)20-11-14-4-2-9-23-14/h2-10H,11H2,1H3,(H2,20,21,22).
What are the key properties of 1-(2-methyl-4-pyrimidin-2-ylsulfanylphenyl)-3-(thiophen-2-ylmethyl)urea?
1-(2-methyl-4-pyrimidin-2-ylsulfanylphenyl)-3-(thiophen-2-ylmethyl)urea has a molecular weight of 356.48 g/mol, XLogP of 4.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-4-pyrimidin-2-ylsulfanylphenyl)-3-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 60620217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).