5-(piperidin-3-ylmethyl)-1,3-thiazole

C9H14N2S — CID 112644485

IUPAC5-(piperidin-3-ylmethyl)-1,3-thiazole
SMILESc1ncc(CC2CCCNC2)s1
InChIInChI=1S/C9H14N2S/c1-2-8(5-10-3-1)4-9-6-11-7-12-9/h6-8,10H,1-5H2
InChIKeyPRXYGCGNEACQKP-UHFFFAOYSA-N
MW182.29 g/mol
LogP1.69
Rot. Bonds2

About 5-(piperidin-3-ylmethyl)-1,3-thiazole

5-(piperidin-3-ylmethyl)-1,3-thiazole (PubChem CID 112644485) has the molecular formula C9H14N2S and a molecular weight of 182.29 g/mol. Its IUPAC name is 5-(piperidin-3-ylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name5-(piperidin-3-ylmethyl)-1,3-thiazole
PubChem CID112644485
Molecular FormulaC9H14N2S
Molecular Weight182.29 g/mol
Exact Mass182.09
IUPAC Name5-(piperidin-3-ylmethyl)-1,3-thiazole
SMILESc1ncc(CC2CCCNC2)s1
InChIInChI=1S/C9H14N2S/c1-2-8(5-10-3-1)4-9-6-11-7-12-9/h6-8,10H,1-5H2
InChIKeyPRXYGCGNEACQKP-UHFFFAOYSA-N
XLogP1.69
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[(R)-[(3R)-piperidin-3-yl]sulfinyl]methyl]-1,3-thiazole
CID 97166187
5-[[(3R)-piperidin-3-yl]sulfonylmethyl]-1,3-thiazole
CID 97165913
2-methoxy-N-(piperidin-3-ylmethyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine;hydrochloride
CID 120858130
5-(pyrrolidin-3-ylmethylsulfonylmethyl)-1,3-thiazole
CID 71645788
1-pyrrolidin-3-yl-3-(1,3-thiazol-5-yl)propan-2-one
CID 116583454
5-[(3R)-piperidin-3-yl]-1,3-thiazole
CID 96632228
5-(pyrrolidin-3-ylsulfanylmethyl)-1,3-thiazole
CID 71637100
(3R)-3-(1H-imidazol-5-ylmethyl)piperidine;dihydrochloride
CID 169426845
5-[[(3S)-pyrrolidin-3-yl]oxymethyl]-1,3-thiazole
CID 71636911
3-bromo-5-(piperidin-3-ylmethyl)pyridine
CID 104811408
5-(piperidin-4-ylmethoxymethyl)-1,3-thiazole;hydrochloride
CID 71637010
1-pyrrolidin-3-yl-2-(1,3-thiazol-5-yl)ethanone
CID 116568336

Frequently Asked Questions

What is the IUPAC name of 5-(piperidin-3-ylmethyl)-1,3-thiazole?
The IUPAC name of 5-(piperidin-3-ylmethyl)-1,3-thiazole (CID 112644485) is 5-(piperidin-3-ylmethyl)-1,3-thiazole.
What is the SMILES notation for 5-(piperidin-3-ylmethyl)-1,3-thiazole?
The canonical SMILES for 5-(piperidin-3-ylmethyl)-1,3-thiazole is c1ncc(CC2CCCNC2)s1.
What is the InChIKey of 5-(piperidin-3-ylmethyl)-1,3-thiazole?
The InChIKey is PRXYGCGNEACQKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2S/c1-2-8(5-10-3-1)4-9-6-11-7-12-9/h6-8,10H,1-5H2.
What are the key properties of 5-(piperidin-3-ylmethyl)-1,3-thiazole?
5-(piperidin-3-ylmethyl)-1,3-thiazole has a molecular weight of 182.29 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(piperidin-3-ylmethyl)-1,3-thiazole is sourced from PubChem (CID 112644485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).