2-[4-[[5-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]oxymethyl]piperidin-1-yl]pyrimidin-5-amine

C20H23N5O3S2 — CID 71657364

IUPAC2-[4-[[5-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]oxymethyl]piperidin-1-yl]pyrimidin-5-amine
SMILESCS(=O)(=O)c1ccc(-c2cnc(OCC3CCN(c4ncc(N)cn4)CC3)s2)cc1
InChIInChI=1S/C20H23N5O3S2/c1-30(26,27)17-4-2-15(3-5-17)18-12-24-20(29-18)28-13-14-6-8-25(9-7-14)19-22-10-16(21)11-23-19/h2-5,10-12,14H,6-9,13,21H2,1H3
InChIKeyZQMMMNOEFUTNMS-UHFFFAOYSA-N
MW445.57 g/mol
LogP2.88
Rot. Bonds6

About 2-[4-[[5-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]oxymethyl]piperidin-1-yl]pyrimidin-5-amine

2-[4-[[5-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]oxymethyl]piperidin-1-yl]pyrimidin-5-amine (PubChem CID 71657364) has the molecular formula C20H23N5O3S2 and a molecular weight of 445.57 g/mol. Its IUPAC name is 2-[4-[[5-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]oxymethyl]piperidin-1-yl]pyrimidin-5-amine.

Molecular Properties

Compound Name2-[4-[[5-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]oxymethyl]piperidin-1-yl]pyrimidin-5-amine
PubChem CID71657364
Molecular FormulaC20H23N5O3S2
Molecular Weight445.57 g/mol
Exact Mass445.12
IUPAC Name2-[4-[[5-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]oxymethyl]piperidin-1-yl]pyrimidin-5-amine
SMILESCS(=O)(=O)c1ccc(-c2cnc(OCC3CCN(c4ncc(N)cn4)CC3)s2)cc1
InChIInChI=1S/C20H23N5O3S2/c1-30(26,27)17-4-2-15(3-5-17)18-12-24-20(29-18)28-13-14-6-8-25(9-7-14)19-22-10-16(21)11-23-19/h2-5,10-12,14H,6-9,13,21H2,1H3
InChIKeyZQMMMNOEFUTNMS-UHFFFAOYSA-N
XLogP2.88
TPSA111.30 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.57
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

2-[[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]methoxy]-5-(6-methylsulfonyl-3-pyridinyl)-1,3-thiazole
CID 71657148
2-[1-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]-2,2,2-trifluoroethoxy]-5-(4-methylsulfonylphenyl)-1,3-thiazole
CID 71657254
2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-6-(4-methylsulfonylphenyl)-1,3-benzothiazole
CID 54596967
2-[4-[[4-(4-methylsulfonylphenyl)phenoxy]methyl]piperidin-1-yl]-4-(trifluoromethyl)pyrimidine
CID 59177746
N'-hydroxy-4-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]oxymethyl]piperidine-1-carboximidamide
CID 87100228
propan-2-yl 4-[[methyl-[5-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]amino]methyl]piperidine-1-carboxylate
CID 71657468
5-chloro-2-[4-[[2-[(4-methylsulfonylphenoxy)methyl]cyclopropyl]methyl]piperidin-1-yl]pyrimidine
CID 66935168
5-ethyl-2-[4-[(2R)-4-(4-methylsulfonylphenoxy)butan-2-yl]piperidin-1-yl]pyrimidine
CID 44608534
5-ethyl-2-[4-[4-(4-methylsulfonylphenoxy)butan-2-yl]piperidin-1-yl]pyrimidine
CID 75081193
6-(4-methylsulfonylphenyl)-2-[(3R)-1-(5-propylpyrimidin-2-yl)pyrrolidin-3-yl]oxy-1,3-benzothiazole
CID 71275500
2-[3-[[4-(4-methylsulfonylphenyl)phenoxy]methyl]azetidin-1-yl]-5-propylpyrimidine
CID 71556526
4-[[4-(4-methylsulfonylphenyl)phenoxy]methyl]piperidine-1-carbonitrile
CID 86638736

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[5-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]oxymethyl]piperidin-1-yl]pyrimidin-5-amine?
The IUPAC name of 2-[4-[[5-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]oxymethyl]piperidin-1-yl]pyrimidin-5-amine (CID 71657364) is 2-[4-[[5-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]oxymethyl]piperidin-1-yl]pyrimidin-5-amine.
What is the SMILES notation for 2-[4-[[5-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]oxymethyl]piperidin-1-yl]pyrimidin-5-amine?
The canonical SMILES for 2-[4-[[5-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]oxymethyl]piperidin-1-yl]pyrimidin-5-amine is CS(=O)(=O)c1ccc(-c2cnc(OCC3CCN(c4ncc(N)cn4)CC3)s2)cc1.
What is the InChIKey of 2-[4-[[5-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]oxymethyl]piperidin-1-yl]pyrimidin-5-amine?
The InChIKey is ZQMMMNOEFUTNMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3S2/c1-30(26,27)17-4-2-15(3-5-17)18-12-24-20(29-18)28-13-14-6-8-25(9-7-14)19-22-10-16(21)11-23-19/h2-5,10-12,14H,6-9,13,21H2,1H3.
What are the key properties of 2-[4-[[5-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]oxymethyl]piperidin-1-yl]pyrimidin-5-amine?
2-[4-[[5-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]oxymethyl]piperidin-1-yl]pyrimidin-5-amine has a molecular weight of 445.57 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[5-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]oxymethyl]piperidin-1-yl]pyrimidin-5-amine is sourced from PubChem (CID 71657364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).