5-pyridin-3-yl-2-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole

C17H11N5S — CID 67517809

IUPAC5-pyridin-3-yl-2-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole
SMILESc1cnc(-c2cccc(-c3ncc(-c4cccnc4)s3)n2)nc1
InChIInChI=1S/C17H11N5S/c1-5-13(16-19-8-3-9-20-16)22-14(6-1)17-21-11-15(23-17)12-4-2-7-18-10-12/h1-11H
InChIKeyHGRBIJNCRNGWRV-UHFFFAOYSA-N
MW317.38 g/mol
LogP3.72
Rot. Bonds3

About 5-pyridin-3-yl-2-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole

5-pyridin-3-yl-2-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole (PubChem CID 67517809) has the molecular formula C17H11N5S and a molecular weight of 317.38 g/mol. Its IUPAC name is 5-pyridin-3-yl-2-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole.

Molecular Properties

Compound Name5-pyridin-3-yl-2-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole
PubChem CID67517809
Molecular FormulaC17H11N5S
Molecular Weight317.38 g/mol
Exact Mass317.07
IUPAC Name5-pyridin-3-yl-2-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole
SMILESc1cnc(-c2cccc(-c3ncc(-c4cccnc4)s3)n2)nc1
InChIInChI=1S/C17H11N5S/c1-5-13(16-19-8-3-9-20-16)22-14(6-1)17-21-11-15(23-17)12-4-2-7-18-10-12/h1-11H
InChIKeyHGRBIJNCRNGWRV-UHFFFAOYSA-N
XLogP3.72
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.38
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1,3-Benzothiazol-2-yl(2-((2-(3-pyridinyl)ethyl)amino)-4-pyrimidinyl)acetonitrile
CID 10109823
TH1020
CID 124203921
Ulecaciclib
CID 126535127
(3-Methyl-pyridin-2-yl)-(4-pyridin-2-yl-thiazol-2-yl)-amine
CID 972880
8-Thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine
CID 25190908
N-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-5-pyridin-4-yl-1,3-thiazol-2-amine;hydrochloride
CID 137355931
N-(2-pyridin-2-ylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 2509600
4-Methyl-6-[(4-methylphenyl)thio]-2-(2-pyridyl)pyrimidine
CID 2725934
N-phenyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine
CID 2823823
({4-[2-(Methylsulfanyl)-6-phenylpyrido[2,3-d]pyrimidin-7-yl]phenyl}methyl)[2-(1,3-thiazol-2-yl)ethyl]amine
CID 24971388
5,7-Bis(Azanyl)-2-Tert-Butyl-4-(1,3-Thiazol-2-Yl)pyrido[2,3-D]pyrimidine-6-Carbonitrile
CID 91971371
N~4~,N~4~-Bis[(Pyridin-2-Yl)methyl]-6-(Thiophen-3-Yl)pyrimidine-2,4-Diamine
CID 124220259

Frequently Asked Questions

What is the IUPAC name of 5-pyridin-3-yl-2-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole?
The IUPAC name of 5-pyridin-3-yl-2-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole (CID 67517809) is 5-pyridin-3-yl-2-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole.
What is the SMILES notation for 5-pyridin-3-yl-2-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole?
The canonical SMILES for 5-pyridin-3-yl-2-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole is c1cnc(-c2cccc(-c3ncc(-c4cccnc4)s3)n2)nc1.
What is the InChIKey of 5-pyridin-3-yl-2-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole?
The InChIKey is HGRBIJNCRNGWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N5S/c1-5-13(16-19-8-3-9-20-16)22-14(6-1)17-21-11-15(23-17)12-4-2-7-18-10-12/h1-11H.
What are the key properties of 5-pyridin-3-yl-2-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole?
5-pyridin-3-yl-2-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole has a molecular weight of 317.38 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyridin-3-yl-2-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole is sourced from PubChem (CID 67517809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).