5-[2-(6-ethyl-2-pyridinyl)pyrimidin-4-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole

C20H17N5S — CID 58416102

IUPAC5-[2-(6-ethyl-2-pyridinyl)pyrimidin-4-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole
SMILESCCc1cccc(-c2nccc(-c3sc(-c4cccnc4)nc3C)n2)n1
InChIInChI=1S/C20H17N5S/c1-3-15-7-4-8-17(24-15)19-22-11-9-16(25-19)18-13(2)23-20(26-18)14-6-5-10-21-12-14/h4-12H,3H2,1-2H3
InChIKeyRLBXYKRMRBVZFO-UHFFFAOYSA-N
MW359.46 g/mol
LogP4.59
Rot. Bonds4

About 5-[2-(6-ethyl-2-pyridinyl)pyrimidin-4-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole

5-[2-(6-ethyl-2-pyridinyl)pyrimidin-4-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole (PubChem CID 58416102) has the molecular formula C20H17N5S and a molecular weight of 359.46 g/mol. Its IUPAC name is 5-[2-(6-ethyl-2-pyridinyl)pyrimidin-4-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole.

Molecular Properties

Compound Name5-[2-(6-ethyl-2-pyridinyl)pyrimidin-4-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole
PubChem CID58416102
Molecular FormulaC20H17N5S
Molecular Weight359.46 g/mol
Exact Mass359.12
IUPAC Name5-[2-(6-ethyl-2-pyridinyl)pyrimidin-4-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole
SMILESCCc1cccc(-c2nccc(-c3sc(-c4cccnc4)nc3C)n2)n1
InChIInChI=1S/C20H17N5S/c1-3-15-7-4-8-17(24-15)19-22-11-9-16(25-19)18-13(2)23-20(26-18)14-6-5-10-21-12-14/h4-12H,3H2,1-2H3
InChIKeyRLBXYKRMRBVZFO-UHFFFAOYSA-N
XLogP4.59
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.46
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[2-(6-ethyl-2-pyridinyl)pyrimidin-4-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole with MolForge

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Related Compounds

TH1020
CID 124203921
Ulecaciclib
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2-(4-Chloro-5-phenylthieno(2,3-d)pyrimidin-2-yl)pyridine
CID 2535143
N4-isobutyl-N2-((2-phenylthiazol-4-yl)methyl)pyrimidine-2,4-diamine
CID 71304818
(3-Methyl-pyridin-2-yl)-(4-pyridin-2-yl-thiazol-2-yl)-amine
CID 972880
[4-(2,4-Dimethyl-thiazol-5-yl)-pyrimidin-2-yl]-[4-(4-methyl-piperazin-1-yl)-phenyl]-amine
CID 10091185
12-Phenyl-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 25190906
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
2-Methyl-4-[2-[2-(2-methylphenyl)pyrimidin-5-yl]ethynyl]-1,3-thiazole
CID 16662932
7-[7-[4-(4-Methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]thieno[2,3-b]pyrazine
CID 56973462
N-cyclopentyl-4-methyl-5-[2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 126534285
N-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-5-pyridin-4-yl-1,3-thiazol-2-amine;hydrochloride
CID 137355931

Frequently Asked Questions

What is the IUPAC name of 5-[2-(6-ethyl-2-pyridinyl)pyrimidin-4-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole?
The IUPAC name of 5-[2-(6-ethyl-2-pyridinyl)pyrimidin-4-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole (CID 58416102) is 5-[2-(6-ethyl-2-pyridinyl)pyrimidin-4-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole.
What is the SMILES notation for 5-[2-(6-ethyl-2-pyridinyl)pyrimidin-4-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole?
The canonical SMILES for 5-[2-(6-ethyl-2-pyridinyl)pyrimidin-4-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole is CCc1cccc(-c2nccc(-c3sc(-c4cccnc4)nc3C)n2)n1.
What is the InChIKey of 5-[2-(6-ethyl-2-pyridinyl)pyrimidin-4-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole?
The InChIKey is RLBXYKRMRBVZFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5S/c1-3-15-7-4-8-17(24-15)19-22-11-9-16(25-19)18-13(2)23-20(26-18)14-6-5-10-21-12-14/h4-12H,3H2,1-2H3.
What are the key properties of 5-[2-(6-ethyl-2-pyridinyl)pyrimidin-4-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole?
5-[2-(6-ethyl-2-pyridinyl)pyrimidin-4-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole has a molecular weight of 359.46 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(6-ethyl-2-pyridinyl)pyrimidin-4-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole is sourced from PubChem (CID 58416102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).