[1-[4-[(Z)-1,3-thiazolidin-5-ylidenemethyl]pyrimidin-2-yl]piperidin-4-yl]methanamine

C14H21N5S — CID 141310548

IUPAC[1-[4-[(Z)-1,3-thiazolidin-5-ylidenemethyl]pyrimidin-2-yl]piperidin-4-yl]methanamine
SMILESNCC1CCN(c2nccc(/C=C3/CNCS3)n2)CC1
InChIInChI=1S/C14H21N5S/c15-8-11-2-5-19(6-3-11)14-17-4-1-12(18-14)7-13-9-16-10-20-13/h1,4,7,11,16H,2-3,5-6,8-10,15H2/b13-7-
InChIKeyYJOVTFNDRGTPSO-QPEQYQDCSA-N
MW291.42 g/mol
LogP1.29
Rot. Bonds3

About [1-[4-[(Z)-1,3-thiazolidin-5-ylidenemethyl]pyrimidin-2-yl]piperidin-4-yl]methanamine

[1-[4-[(Z)-1,3-thiazolidin-5-ylidenemethyl]pyrimidin-2-yl]piperidin-4-yl]methanamine (PubChem CID 141310548) has the molecular formula C14H21N5S and a molecular weight of 291.42 g/mol. Its IUPAC name is [1-[4-[(Z)-1,3-thiazolidin-5-ylidenemethyl]pyrimidin-2-yl]piperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-[4-[(Z)-1,3-thiazolidin-5-ylidenemethyl]pyrimidin-2-yl]piperidin-4-yl]methanamine
PubChem CID141310548
Molecular FormulaC14H21N5S
Molecular Weight291.42 g/mol
Exact Mass291.15
IUPAC Name[1-[4-[(Z)-1,3-thiazolidin-5-ylidenemethyl]pyrimidin-2-yl]piperidin-4-yl]methanamine
SMILESNCC1CCN(c2nccc(/C=C3/CNCS3)n2)CC1
InChIInChI=1S/C14H21N5S/c15-8-11-2-5-19(6-3-11)14-17-4-1-12(18-14)7-13-9-16-10-20-13/h1,4,7,11,16H,2-3,5-6,8-10,15H2/b13-7-
InChIKeyYJOVTFNDRGTPSO-QPEQYQDCSA-N
XLogP1.29
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(5Z)-5-[[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine
CID 67209159
5-[[2-[4-[(pyrrolidin-3-ylmethylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidin-2-one
CID 123807509
[1-[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]piperidin-4-yl]methanamine
CID 103278999
(5Z)-5-[[2-[4-[(dimethylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 53250342
5-[[2-(4-aminopiperidin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 75992526
(5Z)-5-[[2-[4-[3-(azetidin-2-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione
CID 58312752
(5E)-5-[[2-[4-[(pyrrolidin-3-ylmethylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 87310688
[1-[4-(1-ethylpyrazol-4-yl)pyrimidin-2-yl]piperidin-4-yl]methanamine
CID 103278998
(5Z)-5-[[2-[4-(dimethylamino)piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 53252410
(5Z)-5-[[2-(4-fluoropiperidin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 58312886
5-[[2-[4-[(piperidin-3-ylmethylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 123919815
2-(4-ethylpiperidin-1-yl)-4-methylpyrimidine
CID 170581547

Frequently Asked Questions

What is the IUPAC name of [1-[4-[(Z)-1,3-thiazolidin-5-ylidenemethyl]pyrimidin-2-yl]piperidin-4-yl]methanamine?
The IUPAC name of [1-[4-[(Z)-1,3-thiazolidin-5-ylidenemethyl]pyrimidin-2-yl]piperidin-4-yl]methanamine (CID 141310548) is [1-[4-[(Z)-1,3-thiazolidin-5-ylidenemethyl]pyrimidin-2-yl]piperidin-4-yl]methanamine.
What is the SMILES notation for [1-[4-[(Z)-1,3-thiazolidin-5-ylidenemethyl]pyrimidin-2-yl]piperidin-4-yl]methanamine?
The canonical SMILES for [1-[4-[(Z)-1,3-thiazolidin-5-ylidenemethyl]pyrimidin-2-yl]piperidin-4-yl]methanamine is NCC1CCN(c2nccc(/C=C3/CNCS3)n2)CC1.
What is the InChIKey of [1-[4-[(Z)-1,3-thiazolidin-5-ylidenemethyl]pyrimidin-2-yl]piperidin-4-yl]methanamine?
The InChIKey is YJOVTFNDRGTPSO-QPEQYQDCSA-N. The full InChI is InChI=1S/C14H21N5S/c15-8-11-2-5-19(6-3-11)14-17-4-1-12(18-14)7-13-9-16-10-20-13/h1,4,7,11,16H,2-3,5-6,8-10,15H2/b13-7-.
What are the key properties of [1-[4-[(Z)-1,3-thiazolidin-5-ylidenemethyl]pyrimidin-2-yl]piperidin-4-yl]methanamine?
[1-[4-[(Z)-1,3-thiazolidin-5-ylidenemethyl]pyrimidin-2-yl]piperidin-4-yl]methanamine has a molecular weight of 291.42 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-[(Z)-1,3-thiazolidin-5-ylidenemethyl]pyrimidin-2-yl]piperidin-4-yl]methanamine is sourced from PubChem (CID 141310548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).