3-[5-(6-methylpyrimidin-4-yl)-2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]benzonitrile

C20H14N6S — CID 11291658

IUPAC3-[5-(6-methylpyrimidin-4-yl)-2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]benzonitrile
SMILESCc1cc(-c2sc(Nc3cccnc3)nc2-c2cccc(C#N)c2)ncn1
InChIInChI=1S/C20H14N6S/c1-13-8-17(24-12-23-13)19-18(15-5-2-4-14(9-15)10-21)26-20(27-19)25-16-6-3-7-22-11-16/h2-9,11-12H,1H3,(H,25,26)
InChIKeyAYVNFQSDTDVFOS-UHFFFAOYSA-N
MW370.44 g/mol
LogP4.59
Rot. Bonds4

About 3-[5-(6-methylpyrimidin-4-yl)-2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]benzonitrile

3-[5-(6-methylpyrimidin-4-yl)-2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]benzonitrile (PubChem CID 11291658) has the molecular formula C20H14N6S and a molecular weight of 370.44 g/mol. Its IUPAC name is 3-[5-(6-methylpyrimidin-4-yl)-2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]benzonitrile.

Molecular Properties

Compound Name3-[5-(6-methylpyrimidin-4-yl)-2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]benzonitrile
PubChem CID11291658
Molecular FormulaC20H14N6S
Molecular Weight370.44 g/mol
Exact Mass370.10
IUPAC Name3-[5-(6-methylpyrimidin-4-yl)-2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]benzonitrile
SMILESCc1cc(-c2sc(Nc3cccnc3)nc2-c2cccc(C#N)c2)ncn1
InChIInChI=1S/C20H14N6S/c1-13-8-17(24-12-23-13)19-18(15-5-2-4-14(9-15)10-21)26-20(27-19)25-16-6-3-7-22-11-16/h2-9,11-12H,1H3,(H,25,26)
InChIKeyAYVNFQSDTDVFOS-UHFFFAOYSA-N
XLogP4.59
TPSA87.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.44
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1,3-Benzothiazol-2-yl(2-((2-(3-pyridinyl)ethyl)amino)-4-pyrimidinyl)acetonitrile
CID 10109823
4-(2,4-Dimethyl-1,3-thiazol-5-yl)-N-[4-(trifluoromethyl)phenyl]-2-pyrimidinamine
CID 447958
4-(3-Methylphenyl)-5-(1,5-Naphthyridin-2-Yl)-1,3-Thiazol-2-Amine
CID 91885649
N-(2-ethylphenyl)-4-(pyridin-3-yl)-1,3-thiazol-2-amine
CID 746667
Aminothiazole 7
CID 5329389
2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 36
CID 6539301
[4-(4-Methyl-2-methylamino-thiazol-5-yl)-pyrimidin-2-yl]-(4-piperazin-1-yl-phenyl)-amine
CID 10022738
[4-(2,4-Dimethyl-thiazol-5-yl)-pyrimidin-2-yl]-[4-(4-methyl-piperazin-1-yl)-phenyl]-amine
CID 10091185
4-(4-Fluorophenyl)-5-(1,5-naphthyridin-2-yl)thiazol-2-amine
CID 11290221
2-[(2Z)-2,3-dihydro-1,3-benzothiazol-2-ylidene]-2-(2-{[2-(pyridin-3-yl)ethyl]amino}pyrimidin-4-yl)acetonitrile
CID 11422035
2-{[3-(1,4-Diazepan-1-yl)phenyl]amino}-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidine-5-carbonitrile
CID 71300299
4-[6-(4-Fluorophenyl)-2-[(4-methylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-amine
CID 44579300

Frequently Asked Questions

What is the IUPAC name of 3-[5-(6-methylpyrimidin-4-yl)-2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]benzonitrile?
The IUPAC name of 3-[5-(6-methylpyrimidin-4-yl)-2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]benzonitrile (CID 11291658) is 3-[5-(6-methylpyrimidin-4-yl)-2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]benzonitrile.
What is the SMILES notation for 3-[5-(6-methylpyrimidin-4-yl)-2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]benzonitrile?
The canonical SMILES for 3-[5-(6-methylpyrimidin-4-yl)-2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]benzonitrile is Cc1cc(-c2sc(Nc3cccnc3)nc2-c2cccc(C#N)c2)ncn1.
What is the InChIKey of 3-[5-(6-methylpyrimidin-4-yl)-2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]benzonitrile?
The InChIKey is AYVNFQSDTDVFOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N6S/c1-13-8-17(24-12-23-13)19-18(15-5-2-4-14(9-15)10-21)26-20(27-19)25-16-6-3-7-22-11-16/h2-9,11-12H,1H3,(H,25,26).
What are the key properties of 3-[5-(6-methylpyrimidin-4-yl)-2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]benzonitrile?
3-[5-(6-methylpyrimidin-4-yl)-2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]benzonitrile has a molecular weight of 370.44 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(6-methylpyrimidin-4-yl)-2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]benzonitrile is sourced from PubChem (CID 11291658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).