1-[4-(4-amino-2-methylthieno[3,2-c]pyridin-3-yl)phenyl]-3-(3-methylphenyl)urea

C22H20N4OS — CID 18450940

IUPAC1-[4-(4-amino-2-methylthieno[3,2-c]pyridin-3-yl)phenyl]-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)Nc2ccc(-c3c(C)sc4ccnc(N)c34)cc2)c1
InChIInChI=1S/C22H20N4OS/c1-13-4-3-5-17(12-13)26-22(27)25-16-8-6-15(7-9-16)19-14(2)28-18-10-11-24-21(23)20(18)19/h3-12H,1-2H3,(H2,23,24)(H2,25,26,27)
InChIKeyGKGNSRLOXYQDEU-UHFFFAOYSA-N
MW388.50 g/mol
LogP5.81
Rot. Bonds3

About 1-[4-(4-amino-2-methylthieno[3,2-c]pyridin-3-yl)phenyl]-3-(3-methylphenyl)urea

1-[4-(4-amino-2-methylthieno[3,2-c]pyridin-3-yl)phenyl]-3-(3-methylphenyl)urea (PubChem CID 18450940) has the molecular formula C22H20N4OS and a molecular weight of 388.50 g/mol. Its IUPAC name is 1-[4-(4-amino-2-methylthieno[3,2-c]pyridin-3-yl)phenyl]-3-(3-methylphenyl)urea.

Molecular Properties

Compound Name1-[4-(4-amino-2-methylthieno[3,2-c]pyridin-3-yl)phenyl]-3-(3-methylphenyl)urea
PubChem CID18450940
Molecular FormulaC22H20N4OS
Molecular Weight388.50 g/mol
Exact Mass388.14
IUPAC Name1-[4-(4-amino-2-methylthieno[3,2-c]pyridin-3-yl)phenyl]-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)Nc2ccc(-c3c(C)sc4ccnc(N)c34)cc2)c1
InChIInChI=1S/C22H20N4OS/c1-13-4-3-5-17(12-13)26-22(27)25-16-8-6-15(7-9-16)19-14(2)28-18-10-11-24-21(23)20(18)19/h3-12H,1-2H3,(H2,23,24)(H2,25,26,27)
InChIKeyGKGNSRLOXYQDEU-UHFFFAOYSA-N
XLogP5.81
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.50
LogP ≤ 55.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-amino-2-methylthieno[3,2-c]pyridin-3-yl)phenyl]-3-(3-methylphenyl)urea?
The IUPAC name of 1-[4-(4-amino-2-methylthieno[3,2-c]pyridin-3-yl)phenyl]-3-(3-methylphenyl)urea (CID 18450940) is 1-[4-(4-amino-2-methylthieno[3,2-c]pyridin-3-yl)phenyl]-3-(3-methylphenyl)urea.
What is the SMILES notation for 1-[4-(4-amino-2-methylthieno[3,2-c]pyridin-3-yl)phenyl]-3-(3-methylphenyl)urea?
The canonical SMILES for 1-[4-(4-amino-2-methylthieno[3,2-c]pyridin-3-yl)phenyl]-3-(3-methylphenyl)urea is Cc1cccc(NC(=O)Nc2ccc(-c3c(C)sc4ccnc(N)c34)cc2)c1.
What is the InChIKey of 1-[4-(4-amino-2-methylthieno[3,2-c]pyridin-3-yl)phenyl]-3-(3-methylphenyl)urea?
The InChIKey is GKGNSRLOXYQDEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4OS/c1-13-4-3-5-17(12-13)26-22(27)25-16-8-6-15(7-9-16)19-14(2)28-18-10-11-24-21(23)20(18)19/h3-12H,1-2H3,(H2,23,24)(H2,25,26,27).
What are the key properties of 1-[4-(4-amino-2-methylthieno[3,2-c]pyridin-3-yl)phenyl]-3-(3-methylphenyl)urea?
1-[4-(4-amino-2-methylthieno[3,2-c]pyridin-3-yl)phenyl]-3-(3-methylphenyl)urea has a molecular weight of 388.50 g/mol, XLogP of 5.81, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-amino-2-methylthieno[3,2-c]pyridin-3-yl)phenyl]-3-(3-methylphenyl)urea is sourced from PubChem (CID 18450940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).