1-[4-(2-chlorophenyl)-2-methylthieno[2,3-b]pyridin-5-yl]-3-(2,4-difluorophenyl)urea

C21H14ClF2N3OS — CID 19787165

IUPAC1-[4-(2-chlorophenyl)-2-methylthieno[2,3-b]pyridin-5-yl]-3-(2,4-difluorophenyl)urea
SMILESCc1cc2c(-c3ccccc3Cl)c(NC(=O)Nc3ccc(F)cc3F)cnc2s1
InChIInChI=1S/C21H14ClF2N3OS/c1-11-8-14-19(13-4-2-3-5-15(13)22)18(10-25-20(14)29-11)27-21(28)26-17-7-6-12(23)9-16(17)24/h2-10H,1H3,(H2,26,27,28)
InChIKeyQDYOHKHYDPXTQF-UHFFFAOYSA-N
MW429.88 g/mol
LogP6.85
Rot. Bonds3

About 1-[4-(2-chlorophenyl)-2-methylthieno[2,3-b]pyridin-5-yl]-3-(2,4-difluorophenyl)urea

1-[4-(2-chlorophenyl)-2-methylthieno[2,3-b]pyridin-5-yl]-3-(2,4-difluorophenyl)urea (PubChem CID 19787165) has the molecular formula C21H14ClF2N3OS and a molecular weight of 429.88 g/mol. Its IUPAC name is 1-[4-(2-chlorophenyl)-2-methylthieno[2,3-b]pyridin-5-yl]-3-(2,4-difluorophenyl)urea.

Molecular Properties

Compound Name1-[4-(2-chlorophenyl)-2-methylthieno[2,3-b]pyridin-5-yl]-3-(2,4-difluorophenyl)urea
PubChem CID19787165
Molecular FormulaC21H14ClF2N3OS
Molecular Weight429.88 g/mol
Exact Mass429.05
IUPAC Name1-[4-(2-chlorophenyl)-2-methylthieno[2,3-b]pyridin-5-yl]-3-(2,4-difluorophenyl)urea
SMILESCc1cc2c(-c3ccccc3Cl)c(NC(=O)Nc3ccc(F)cc3F)cnc2s1
InChIInChI=1S/C21H14ClF2N3OS/c1-11-8-14-19(13-4-2-3-5-15(13)22)18(10-25-20(14)29-11)27-21(28)26-17-7-6-12(23)9-16(17)24/h2-10H,1H3,(H2,26,27,28)
InChIKeyQDYOHKHYDPXTQF-UHFFFAOYSA-N
XLogP6.85
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.88
LogP ≤ 56.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[8-chloro-4-(2-chlorophenyl)quinolin-3-yl]-3-(2,4-difluorophenyl)urea
CID 67786930
1-[3-(2-chlorophenyl)-5,6-dimethyl-1-benzothiophen-2-yl]-3-(2,4-difluorophenyl)urea
CID 18688840
1-[3-(2-chlorophenyl)-5-fluoro-1-benzofuran-2-yl]-3-(2,4-difluorophenyl)urea
CID 15285310
1-(2,4-difluorophenyl)-3-(6-methyl-4-phenylquinolin-3-yl)urea
CID 10045848
1-(2,4-difluorophenyl)-3-(4-fluoro-2-methylphenyl)urea
CID 17263659
1-(2,5-dichlorothiophen-3-yl)-3-(2,4-difluorophenyl)urea
CID 2805628
1-(2,4-difluorophenyl)-3-(5-fluoro-2-methylphenyl)urea
CID 46859678
1-(2-chloro-4-hydroxyphenyl)-3-(2,4-difluorophenyl)urea
CID 64789111
2-[2-(2-chlorophenyl)-4-phenyl-1,3-thiazol-5-yl]-N-(2,4-difluorophenyl)acetamide
CID 3648729
2-(2-chloroanilino)-N-(2,4-difluorophenyl)pyrimidine-5-carboxamide
CID 109268688
1-(2-bromophenyl)-3-(2,4-difluorophenyl)urea
CID 27138045
1-[4-(2-chlorophenyl)-6,8-dimethylquinolin-3-yl]-3-(3,5-ditert-butyl-4-hydroxyphenyl)urea
CID 15035155

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-chlorophenyl)-2-methylthieno[2,3-b]pyridin-5-yl]-3-(2,4-difluorophenyl)urea?
The IUPAC name of 1-[4-(2-chlorophenyl)-2-methylthieno[2,3-b]pyridin-5-yl]-3-(2,4-difluorophenyl)urea (CID 19787165) is 1-[4-(2-chlorophenyl)-2-methylthieno[2,3-b]pyridin-5-yl]-3-(2,4-difluorophenyl)urea.
What is the SMILES notation for 1-[4-(2-chlorophenyl)-2-methylthieno[2,3-b]pyridin-5-yl]-3-(2,4-difluorophenyl)urea?
The canonical SMILES for 1-[4-(2-chlorophenyl)-2-methylthieno[2,3-b]pyridin-5-yl]-3-(2,4-difluorophenyl)urea is Cc1cc2c(-c3ccccc3Cl)c(NC(=O)Nc3ccc(F)cc3F)cnc2s1.
What is the InChIKey of 1-[4-(2-chlorophenyl)-2-methylthieno[2,3-b]pyridin-5-yl]-3-(2,4-difluorophenyl)urea?
The InChIKey is QDYOHKHYDPXTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClF2N3OS/c1-11-8-14-19(13-4-2-3-5-15(13)22)18(10-25-20(14)29-11)27-21(28)26-17-7-6-12(23)9-16(17)24/h2-10H,1H3,(H2,26,27,28).
What are the key properties of 1-[4-(2-chlorophenyl)-2-methylthieno[2,3-b]pyridin-5-yl]-3-(2,4-difluorophenyl)urea?
1-[4-(2-chlorophenyl)-2-methylthieno[2,3-b]pyridin-5-yl]-3-(2,4-difluorophenyl)urea has a molecular weight of 429.88 g/mol, XLogP of 6.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-chlorophenyl)-2-methylthieno[2,3-b]pyridin-5-yl]-3-(2,4-difluorophenyl)urea is sourced from PubChem (CID 19787165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).