2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-2-yl]-1,3-thiazole

C14H18N2S2 — CID 77087825

IUPAC2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-2-yl]-1,3-thiazole
SMILESCc1ccc(CN2CCCCC2c2nccs2)s1
InChIInChI=1S/C14H18N2S2/c1-11-5-6-12(18-11)10-16-8-3-2-4-13(16)14-15-7-9-17-14/h5-7,9,13H,2-4,8,10H2,1H3
InChIKeyFUKZPWWYGGZKEI-UHFFFAOYSA-N
MW278.45 g/mol
LogP4.24
Rot. Bonds3

About 2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-2-yl]-1,3-thiazole

2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-2-yl]-1,3-thiazole (PubChem CID 77087825) has the molecular formula C14H18N2S2 and a molecular weight of 278.45 g/mol. Its IUPAC name is 2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-2-yl]-1,3-thiazole
PubChem CID77087825
Molecular FormulaC14H18N2S2
Molecular Weight278.45 g/mol
Exact Mass278.09
IUPAC Name2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-2-yl]-1,3-thiazole
SMILESCc1ccc(CN2CCCCC2c2nccs2)s1
InChIInChI=1S/C14H18N2S2/c1-11-5-6-12(18-11)10-16-8-3-2-4-13(16)14-15-7-9-17-14/h5-7,9,13H,2-4,8,10H2,1H3
InChIKeyFUKZPWWYGGZKEI-UHFFFAOYSA-N
XLogP4.24
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.45
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-2-(5-methylthiophen-2-yl)-4-[[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-oxazole
CID 42357603
2-methyl-5-[[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3,4-thiadiazole
CID 125136328
5-[[2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 120899637
5-methyl-2-(5-methylthiophen-2-yl)-4-[[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole
CID 42465919
2-[(2R)-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-2-yl]-1,3-thiazole
CID 99844268
6-[[2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1H-pyridin-2-one
CID 56860296
5-methyl-4-[[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole
CID 26333322
2-propan-2-yl-5-[[2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole
CID 91838515
3,5-dimethyl-4-[(2S)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole
CID 92502967
2-[1-[(2-ethylpyrimidin-4-yl)methyl]pyrrolidin-2-yl]-1,3-thiazole
CID 77091401
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

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-2-yl]-1,3-thiazole?
The IUPAC name of 2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-2-yl]-1,3-thiazole (CID 77087825) is 2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-2-yl]-1,3-thiazole.
What is the SMILES notation for 2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-2-yl]-1,3-thiazole?
The canonical SMILES for 2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-2-yl]-1,3-thiazole is Cc1ccc(CN2CCCCC2c2nccs2)s1.
What is the InChIKey of 2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-2-yl]-1,3-thiazole?
The InChIKey is FUKZPWWYGGZKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S2/c1-11-5-6-12(18-11)10-16-8-3-2-4-13(16)14-15-7-9-17-14/h5-7,9,13H,2-4,8,10H2,1H3.
What are the key properties of 2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-2-yl]-1,3-thiazole?
2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-2-yl]-1,3-thiazole has a molecular weight of 278.45 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-2-yl]-1,3-thiazole is sourced from PubChem (CID 77087825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).