2-methyl-5-[[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3,4-thiadiazole

C12H16N4S2 — CID 125136328

IUPAC2-methyl-5-[[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3,4-thiadiazole
SMILESCc1nnc(CN2CCCC[C@@H]2c2nccs2)s1
InChIInChI=1S/C12H16N4S2/c1-9-14-15-11(18-9)8-16-6-3-2-4-10(16)12-13-5-7-17-12/h5,7,10H,2-4,6,8H2,1H3/t10-/m1/s1
InChIKeyUCOLORMUYPQPMF-SNVBAGLBSA-N
MW280.42 g/mol
LogP3.03
Rot. Bonds3

About 2-methyl-5-[[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3,4-thiadiazole

2-methyl-5-[[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3,4-thiadiazole (PubChem CID 125136328) has the molecular formula C12H16N4S2 and a molecular weight of 280.42 g/mol. Its IUPAC name is 2-methyl-5-[[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-methyl-5-[[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3,4-thiadiazole
PubChem CID125136328
Molecular FormulaC12H16N4S2
Molecular Weight280.42 g/mol
Exact Mass280.08
IUPAC Name2-methyl-5-[[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3,4-thiadiazole
SMILESCc1nnc(CN2CCCC[C@@H]2c2nccs2)s1
InChIInChI=1S/C12H16N4S2/c1-9-14-15-11(18-9)8-16-6-3-2-4-10(16)12-13-5-7-17-12/h5,7,10H,2-4,6,8H2,1H3/t10-/m1/s1
InChIKeyUCOLORMUYPQPMF-SNVBAGLBSA-N
XLogP3.03
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-2-yl]-1,3-thiazole
CID 77087825
5-[[2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 120899637
2-[(2R)-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-2-yl]-1,3-thiazole
CID 99844268
2-propan-2-yl-5-[[2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole
CID 91838515
2-[[2-(3-fluorophenyl)piperidin-1-yl]methyl]-5-methyl-1,3,4-thiadiazole
CID 56901808
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-[[2-(3-methoxyphenyl)piperidin-1-yl]methyl]-5-methyl-1,3,4-thiadiazole
CID 118771820
5-methyl-4-[[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole
CID 26333322
3-methyl-5-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole
CID 118788668
6-[[2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1H-pyridin-2-one
CID 56860296
1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperidine-2-carboxylic acid
CID 122558218
2-[1-[2-(2-methylpropoxy)ethyl]piperidin-2-yl]-1,3-thiazole
CID 122139894

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3,4-thiadiazole?
The IUPAC name of 2-methyl-5-[[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3,4-thiadiazole (CID 125136328) is 2-methyl-5-[[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-methyl-5-[[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3,4-thiadiazole?
The canonical SMILES for 2-methyl-5-[[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3,4-thiadiazole is Cc1nnc(CN2CCCC[C@@H]2c2nccs2)s1.
What is the InChIKey of 2-methyl-5-[[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3,4-thiadiazole?
The InChIKey is UCOLORMUYPQPMF-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H16N4S2/c1-9-14-15-11(18-9)8-16-6-3-2-4-10(16)12-13-5-7-17-12/h5,7,10H,2-4,6,8H2,1H3/t10-/m1/s1.
What are the key properties of 2-methyl-5-[[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3,4-thiadiazole?
2-methyl-5-[[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3,4-thiadiazole has a molecular weight of 280.42 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3,4-thiadiazole is sourced from PubChem (CID 125136328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).