5-cyclopropyl-2-(piperidin-2-ylmethyl)-1,3-thiazole

C12H18N2S — CID 115033672

IUPAC5-cyclopropyl-2-(piperidin-2-ylmethyl)-1,3-thiazole
SMILESc1nc(CC2CCCCN2)sc1C1CC1
InChIInChI=1S/C12H18N2S/c1-2-6-13-10(3-1)7-12-14-8-11(15-12)9-4-5-9/h8-10,13H,1-7H2
InChIKeyYJGYAYIUMAFVAQ-UHFFFAOYSA-N
MW222.36 g/mol
LogP2.71
Rot. Bonds3

About 5-cyclopropyl-2-(piperidin-2-ylmethyl)-1,3-thiazole

5-cyclopropyl-2-(piperidin-2-ylmethyl)-1,3-thiazole (PubChem CID 115033672) has the molecular formula C12H18N2S and a molecular weight of 222.36 g/mol. Its IUPAC name is 5-cyclopropyl-2-(piperidin-2-ylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name5-cyclopropyl-2-(piperidin-2-ylmethyl)-1,3-thiazole
PubChem CID115033672
Molecular FormulaC12H18N2S
Molecular Weight222.36 g/mol
Exact Mass222.12
IUPAC Name5-cyclopropyl-2-(piperidin-2-ylmethyl)-1,3-thiazole
SMILESc1nc(CC2CCCCN2)sc1C1CC1
InChIInChI=1S/C12H18N2S/c1-2-6-13-10(3-1)7-12-14-8-11(15-12)9-4-5-9/h8-10,13H,1-7H2
InChIKeyYJGYAYIUMAFVAQ-UHFFFAOYSA-N
XLogP2.71
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.36
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[2-(piperidin-2-ylmethyl)-1,3-thiazol-5-yl]methanamine
CID 115090979
5-(1,1-difluoroethyl)-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole
CID 84795515
4-bromo-2-(piperidin-2-ylmethyl)-1,3-thiazole
CID 83693596
2-(piperidin-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole
CID 115041792
5-cyclobutyl-2-piperidin-2-yl-1,3-thiazole
CID 115033669
2-[(4-cyclopropyl-1-methylpyrazol-5-yl)methyl]piperidine
CID 115031695
2-[(4-cyclopropylphenyl)methyl]piperidine
CID 117307185
4-cyclohexyl-5-methyl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole
CID 116829047
5-methoxy-2-(piperidin-2-ylmethyl)pyrimidine
CID 117231656
5-methyl-2-(piperidin-2-ylmethyl)-1,3-oxazole
CID 84657560
2-[(4-cyclopentyl-1H-pyrazol-5-yl)methyl]piperidine
CID 115039853
2-[(2-cyclopropylphenyl)methyl]piperidine
CID 138039409

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-(piperidin-2-ylmethyl)-1,3-thiazole?
The IUPAC name of 5-cyclopropyl-2-(piperidin-2-ylmethyl)-1,3-thiazole (CID 115033672) is 5-cyclopropyl-2-(piperidin-2-ylmethyl)-1,3-thiazole.
What is the SMILES notation for 5-cyclopropyl-2-(piperidin-2-ylmethyl)-1,3-thiazole?
The canonical SMILES for 5-cyclopropyl-2-(piperidin-2-ylmethyl)-1,3-thiazole is c1nc(CC2CCCCN2)sc1C1CC1.
What is the InChIKey of 5-cyclopropyl-2-(piperidin-2-ylmethyl)-1,3-thiazole?
The InChIKey is YJGYAYIUMAFVAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2S/c1-2-6-13-10(3-1)7-12-14-8-11(15-12)9-4-5-9/h8-10,13H,1-7H2.
What are the key properties of 5-cyclopropyl-2-(piperidin-2-ylmethyl)-1,3-thiazole?
5-cyclopropyl-2-(piperidin-2-ylmethyl)-1,3-thiazole has a molecular weight of 222.36 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-(piperidin-2-ylmethyl)-1,3-thiazole is sourced from PubChem (CID 115033672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).