1-[4-[4-cyano-5-morpholin-4-yl-2-(1H-1,2,4-triazol-5-yl)thiophen-3-yl]phenyl]-3-(3-methoxyphenyl)urea

C25H23N7O3S — CID 150723905

IUPAC1-[4-[4-cyano-5-morpholin-4-yl-2-(1H-1,2,4-triazol-5-yl)thiophen-3-yl]phenyl]-3-(3-methoxyphenyl)urea
SMILESCOc1cccc(NC(=O)Nc2ccc(-c3c(-c4ncn[nH]4)sc(N4CCOCC4)c3C#N)cc2)c1
InChIInChI=1S/C25H23N7O3S/c1-34-19-4-2-3-18(13-19)30-25(33)29-17-7-5-16(6-8-17)21-20(14-26)24(32-9-11-35-12-10-32)36-22(21)23-27-15-28-31-23/h2-8,13,15H,9-12H2,1H3,(H,27,28,31)(H2,29,30,33)
InChIKeyJQKOLUUGIQJVSM-UHFFFAOYSA-N
MW501.57 g/mol
LogP4.56
Rot. Bonds6

About 1-[4-[4-cyano-5-morpholin-4-yl-2-(1H-1,2,4-triazol-5-yl)thiophen-3-yl]phenyl]-3-(3-methoxyphenyl)urea

1-[4-[4-cyano-5-morpholin-4-yl-2-(1H-1,2,4-triazol-5-yl)thiophen-3-yl]phenyl]-3-(3-methoxyphenyl)urea (PubChem CID 150723905) has the molecular formula C25H23N7O3S and a molecular weight of 501.57 g/mol. Its IUPAC name is 1-[4-[4-cyano-5-morpholin-4-yl-2-(1H-1,2,4-triazol-5-yl)thiophen-3-yl]phenyl]-3-(3-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[4-[4-cyano-5-morpholin-4-yl-2-(1H-1,2,4-triazol-5-yl)thiophen-3-yl]phenyl]-3-(3-methoxyphenyl)urea
PubChem CID150723905
Molecular FormulaC25H23N7O3S
Molecular Weight501.57 g/mol
Exact Mass501.16
IUPAC Name1-[4-[4-cyano-5-morpholin-4-yl-2-(1H-1,2,4-triazol-5-yl)thiophen-3-yl]phenyl]-3-(3-methoxyphenyl)urea
SMILESCOc1cccc(NC(=O)Nc2ccc(-c3c(-c4ncn[nH]4)sc(N4CCOCC4)c3C#N)cc2)c1
InChIInChI=1S/C25H23N7O3S/c1-34-19-4-2-3-18(13-19)30-25(33)29-17-7-5-16(6-8-17)21-20(14-26)24(32-9-11-35-12-10-32)36-22(21)23-27-15-28-31-23/h2-8,13,15H,9-12H2,1H3,(H,27,28,31)(H2,29,30,33)
InChIKeyJQKOLUUGIQJVSM-UHFFFAOYSA-N
XLogP4.56
TPSA128.19 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.57
LogP ≤ 54.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 1-[4-[4-cyano-5-morpholin-4-yl-2-(1H-1,2,4-triazol-5-yl)thiophen-3-yl]phenyl]-3-(3-methoxyphenyl)urea with MolForge

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Related Compounds

1-[4-[4-cyano-5-morpholin-4-yl-2-(1H-1,2,4-triazol-5-yl)thiophen-3-yl]phenyl]-3-(3-fluorophenyl)urea
CID 162670160
1-[4-[4-cyano-5-morpholin-4-yl-2-(1H-1,2,4-triazol-5-yl)thiophen-3-yl]phenyl]-3-[2-(trifluoromethoxy)phenyl]urea
CID 151415596
1-[4-[4-cyano-5-morpholin-4-yl-2-(1H-1,2,4-triazol-5-yl)thiophen-3-yl]phenyl]-3-[(E)-(2,4-dihydroxyphenyl)methylideneamino]urea
CID 175149441
1-(3-methoxyphenyl)-3-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]urea
CID 50748054
1-(3-methoxyphenyl)-3-(2-morpholin-4-ylphenyl)urea
CID 108869153
1-(5-cyano-1,3-thiazol-2-yl)-3-(3-methoxyphenyl)urea
CID 90603698
1-(3-methoxyphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]urea
CID 48740743
1-(3-methoxyphenyl)-3-(4-methoxyphenyl)urea
CID 872322
3-methoxy-N-(4-morpholin-4-ylphenyl)benzamide
CID 795014
4-cyano-3-[3-(hydroxyamino)phenyl]-5-morpholin-4-ylthiophene-2-carboxamide
CID 118501136
1-(5-cyano-2-pyridinyl)-3-(3-methoxyphenyl)urea
CID 62353543
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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-cyano-5-morpholin-4-yl-2-(1H-1,2,4-triazol-5-yl)thiophen-3-yl]phenyl]-3-(3-methoxyphenyl)urea?
The IUPAC name of 1-[4-[4-cyano-5-morpholin-4-yl-2-(1H-1,2,4-triazol-5-yl)thiophen-3-yl]phenyl]-3-(3-methoxyphenyl)urea (CID 150723905) is 1-[4-[4-cyano-5-morpholin-4-yl-2-(1H-1,2,4-triazol-5-yl)thiophen-3-yl]phenyl]-3-(3-methoxyphenyl)urea.
What is the SMILES notation for 1-[4-[4-cyano-5-morpholin-4-yl-2-(1H-1,2,4-triazol-5-yl)thiophen-3-yl]phenyl]-3-(3-methoxyphenyl)urea?
The canonical SMILES for 1-[4-[4-cyano-5-morpholin-4-yl-2-(1H-1,2,4-triazol-5-yl)thiophen-3-yl]phenyl]-3-(3-methoxyphenyl)urea is COc1cccc(NC(=O)Nc2ccc(-c3c(-c4ncn[nH]4)sc(N4CCOCC4)c3C#N)cc2)c1.
What is the InChIKey of 1-[4-[4-cyano-5-morpholin-4-yl-2-(1H-1,2,4-triazol-5-yl)thiophen-3-yl]phenyl]-3-(3-methoxyphenyl)urea?
The InChIKey is JQKOLUUGIQJVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N7O3S/c1-34-19-4-2-3-18(13-19)30-25(33)29-17-7-5-16(6-8-17)21-20(14-26)24(32-9-11-35-12-10-32)36-22(21)23-27-15-28-31-23/h2-8,13,15H,9-12H2,1H3,(H,27,28,31)(H2,29,30,33).
What are the key properties of 1-[4-[4-cyano-5-morpholin-4-yl-2-(1H-1,2,4-triazol-5-yl)thiophen-3-yl]phenyl]-3-(3-methoxyphenyl)urea?
1-[4-[4-cyano-5-morpholin-4-yl-2-(1H-1,2,4-triazol-5-yl)thiophen-3-yl]phenyl]-3-(3-methoxyphenyl)urea has a molecular weight of 501.57 g/mol, XLogP of 4.56, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-cyano-5-morpholin-4-yl-2-(1H-1,2,4-triazol-5-yl)thiophen-3-yl]phenyl]-3-(3-methoxyphenyl)urea is sourced from PubChem (CID 150723905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).