2-[4-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-1,4-diazepan-1-yl]-1,3-thiazole

C19H22N6S — CID 133291472

IUPAC2-[4-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-1,4-diazepan-1-yl]-1,3-thiazole
SMILESCCc1cc(N2CCCN(c3nccs3)CC2)nc(-c2ccccn2)n1
InChIInChI=1S/C19H22N6S/c1-2-15-14-17(23-18(22-15)16-6-3-4-7-20-16)24-9-5-10-25(12-11-24)19-21-8-13-26-19/h3-4,6-8,13-14H,2,5,9-12H2,1H3
InChIKeyZKDYRZXXAQHXNS-UHFFFAOYSA-N
MW366.49 g/mol
LogP3.27
Rot. Bonds4

About 2-[4-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-1,4-diazepan-1-yl]-1,3-thiazole

2-[4-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-1,4-diazepan-1-yl]-1,3-thiazole (PubChem CID 133291472) has the molecular formula C19H22N6S and a molecular weight of 366.49 g/mol. Its IUPAC name is 2-[4-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-1,4-diazepan-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[4-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-1,4-diazepan-1-yl]-1,3-thiazole
PubChem CID133291472
Molecular FormulaC19H22N6S
Molecular Weight366.49 g/mol
Exact Mass366.16
IUPAC Name2-[4-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-1,4-diazepan-1-yl]-1,3-thiazole
SMILESCCc1cc(N2CCCN(c3nccs3)CC2)nc(-c2ccccn2)n1
InChIInChI=1S/C19H22N6S/c1-2-15-14-17(23-18(22-15)16-6-3-4-7-20-16)24-9-5-10-25(12-11-24)19-21-8-13-26-19/h3-4,6-8,13-14H,2,5,9-12H2,1H3
InChIKeyZKDYRZXXAQHXNS-UHFFFAOYSA-N
XLogP3.27
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[4-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-1,4-diazepan-1-yl]-1,3-thiazole with MolForge

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Related Compounds

1-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-4-(6-methylpyridazin-3-yl)-1,4-diazepane
CID 133294829
4-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide
CID 133294367
1-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-3-methylsulfanylazepane
CID 133394955
4-ethyl-6-[4-(3-fluoro-4-methoxyphenyl)piperazin-1-yl]-2-pyridin-2-ylpyrimidine
CID 133348256
2-[4-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)piperazin-1-yl]-5-methyl-1,3-benzoxazole
CID 133294868
4-ethyl-2-pyridin-2-yl-6-[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]pyrimidine
CID 95300952
[1-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 133290790
4-ethyl-6-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-pyridin-2-ylpyrimidine
CID 133295051
2-[[4-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-4-propan-2-ylmorpholine
CID 133294894
2-[4-(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-1,3-thiazole
CID 56909140
2-[4-(2-ethyl-6-methylpyrimidin-4-yl)piperazin-1-yl]-1,3-thiazole
CID 100758945
2-(2-chlorophenyl)-4-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)morpholine
CID 133294593

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-1,4-diazepan-1-yl]-1,3-thiazole?
The IUPAC name of 2-[4-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-1,4-diazepan-1-yl]-1,3-thiazole (CID 133291472) is 2-[4-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-1,4-diazepan-1-yl]-1,3-thiazole.
What is the SMILES notation for 2-[4-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-1,4-diazepan-1-yl]-1,3-thiazole?
The canonical SMILES for 2-[4-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-1,4-diazepan-1-yl]-1,3-thiazole is CCc1cc(N2CCCN(c3nccs3)CC2)nc(-c2ccccn2)n1.
What is the InChIKey of 2-[4-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-1,4-diazepan-1-yl]-1,3-thiazole?
The InChIKey is ZKDYRZXXAQHXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6S/c1-2-15-14-17(23-18(22-15)16-6-3-4-7-20-16)24-9-5-10-25(12-11-24)19-21-8-13-26-19/h3-4,6-8,13-14H,2,5,9-12H2,1H3.
What are the key properties of 2-[4-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-1,4-diazepan-1-yl]-1,3-thiazole?
2-[4-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-1,4-diazepan-1-yl]-1,3-thiazole has a molecular weight of 366.49 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-1,4-diazepan-1-yl]-1,3-thiazole is sourced from PubChem (CID 133291472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).