2-[1-[[1-(1-methylpiperidin-4-yl)triazol-4-yl]methyl]pyrrolidin-2-yl]-1,3-thiazole

C16H24N6S — CID 45209217

IUPAC2-[1-[[1-(1-methylpiperidin-4-yl)triazol-4-yl]methyl]pyrrolidin-2-yl]-1,3-thiazole
SMILESCN1CCC(n2cc(CN3CCCC3c3nccs3)nn2)CC1
InChIInChI=1S/C16H24N6S/c1-20-8-4-14(5-9-20)22-12-13(18-19-22)11-21-7-2-3-15(21)16-17-6-10-23-16/h6,10,12,14-15H,2-5,7-9,11H2,1H3
InChIKeyDVLBCOAFNFHCJB-UHFFFAOYSA-N
MW332.48 g/mol
LogP2.34
Rot. Bonds4

About 2-[1-[[1-(1-methylpiperidin-4-yl)triazol-4-yl]methyl]pyrrolidin-2-yl]-1,3-thiazole

2-[1-[[1-(1-methylpiperidin-4-yl)triazol-4-yl]methyl]pyrrolidin-2-yl]-1,3-thiazole (PubChem CID 45209217) has the molecular formula C16H24N6S and a molecular weight of 332.48 g/mol. Its IUPAC name is 2-[1-[[1-(1-methylpiperidin-4-yl)triazol-4-yl]methyl]pyrrolidin-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[1-[[1-(1-methylpiperidin-4-yl)triazol-4-yl]methyl]pyrrolidin-2-yl]-1,3-thiazole
PubChem CID45209217
Molecular FormulaC16H24N6S
Molecular Weight332.48 g/mol
Exact Mass332.18
IUPAC Name2-[1-[[1-(1-methylpiperidin-4-yl)triazol-4-yl]methyl]pyrrolidin-2-yl]-1,3-thiazole
SMILESCN1CCC(n2cc(CN3CCCC3c3nccs3)nn2)CC1
InChIInChI=1S/C16H24N6S/c1-20-8-4-14(5-9-20)22-12-13(18-19-22)11-21-7-2-3-15(21)16-17-6-10-23-16/h6,10,12,14-15H,2-5,7-9,11H2,1H3
InChIKeyDVLBCOAFNFHCJB-UHFFFAOYSA-N
XLogP2.34
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.48
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[1-[(2-ethylpyrimidin-4-yl)methyl]pyrrolidin-2-yl]-1,3-thiazole
CID 77091401
2-methyl-5-[[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3,4-thiadiazole
CID 125136328
2-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]acetonitrile
CID 130666209
2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-2-yl]-1,3-thiazole
CID 77087825
2-[(2S)-1-[(3-chloro-4-methoxyphenyl)methyl]pyrrolidin-2-yl]-1,3-thiazole
CID 99932250
2-[1-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]pyrrolidin-2-yl]-1,3-thiazole
CID 45213715
2-propan-2-yl-5-[[2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole
CID 91838515
2-methylsulfanyl-7-[[(2R)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 124850079
2-methylsulfanyl-7-[[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 124850078
5-methyl-2-(5-methylfuran-2-yl)-4-[[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole
CID 45222645
2-[(2R)-1-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]pyrrolidin-2-yl]-1,3-thiazole
CID 99927338
2-[(2R)-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-2-yl]-1,3-thiazole
CID 99844268

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[1-(1-methylpiperidin-4-yl)triazol-4-yl]methyl]pyrrolidin-2-yl]-1,3-thiazole?
The IUPAC name of 2-[1-[[1-(1-methylpiperidin-4-yl)triazol-4-yl]methyl]pyrrolidin-2-yl]-1,3-thiazole (CID 45209217) is 2-[1-[[1-(1-methylpiperidin-4-yl)triazol-4-yl]methyl]pyrrolidin-2-yl]-1,3-thiazole.
What is the SMILES notation for 2-[1-[[1-(1-methylpiperidin-4-yl)triazol-4-yl]methyl]pyrrolidin-2-yl]-1,3-thiazole?
The canonical SMILES for 2-[1-[[1-(1-methylpiperidin-4-yl)triazol-4-yl]methyl]pyrrolidin-2-yl]-1,3-thiazole is CN1CCC(n2cc(CN3CCCC3c3nccs3)nn2)CC1.
What is the InChIKey of 2-[1-[[1-(1-methylpiperidin-4-yl)triazol-4-yl]methyl]pyrrolidin-2-yl]-1,3-thiazole?
The InChIKey is DVLBCOAFNFHCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6S/c1-20-8-4-14(5-9-20)22-12-13(18-19-22)11-21-7-2-3-15(21)16-17-6-10-23-16/h6,10,12,14-15H,2-5,7-9,11H2,1H3.
What are the key properties of 2-[1-[[1-(1-methylpiperidin-4-yl)triazol-4-yl]methyl]pyrrolidin-2-yl]-1,3-thiazole?
2-[1-[[1-(1-methylpiperidin-4-yl)triazol-4-yl]methyl]pyrrolidin-2-yl]-1,3-thiazole has a molecular weight of 332.48 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[1-(1-methylpiperidin-4-yl)triazol-4-yl]methyl]pyrrolidin-2-yl]-1,3-thiazole is sourced from PubChem (CID 45209217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).