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

C18H20N4S2 — CID 164692403

IUPAC2-methyl-5-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-1,3,4-thiadiazole
SMILESCc1nc(C2(c3ccccc3)CCN(c3nnc(C)s3)CC2)cs1
InChIInChI=1S/C18H20N4S2/c1-13-19-16(12-23-13)18(15-6-4-3-5-7-15)8-10-22(11-9-18)17-21-20-14(2)24-17/h3-7,12H,8-11H2,1-2H3
InChIKeyFBJGVNBDJZCCAH-UHFFFAOYSA-N
MW356.52 g/mol
LogP4.20
Rot. Bonds3

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

2-methyl-5-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-1,3,4-thiadiazole (PubChem CID 164692403) has the molecular formula C18H20N4S2 and a molecular weight of 356.52 g/mol. Its IUPAC name is 2-methyl-5-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-methyl-5-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-1,3,4-thiadiazole
PubChem CID164692403
Molecular FormulaC18H20N4S2
Molecular Weight356.52 g/mol
Exact Mass356.11
IUPAC Name2-methyl-5-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-1,3,4-thiadiazole
SMILESCc1nc(C2(c3ccccc3)CCN(c3nnc(C)s3)CC2)cs1
InChIInChI=1S/C18H20N4S2/c1-13-19-16(12-23-13)18(15-6-4-3-5-7-15)8-10-22(11-9-18)17-21-20-14(2)24-17/h3-7,12H,8-11H2,1-2H3
InChIKeyFBJGVNBDJZCCAH-UHFFFAOYSA-N
XLogP4.20
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.52
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[1-[6-(methoxymethyl)pyrimidin-4-yl]-4-phenylpiperidin-4-yl]-2-methyl-1,3-thiazole
CID 165427300
4-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]benzamide
CID 165420028
[2-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-2-oxoethyl]urea
CID 164691667
[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-(oxan-4-yl)methanone
CID 165424336
2-[4-[[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]methyl]phenyl]ethanamine
CID 165423845
4-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]benzonitrile
CID 165421639
2-methyl-4-[1-[(6-methyl-3-pyridinyl)methyl]-4-phenylpiperidin-4-yl]-1,3-thiazole
CID 165420034
2-methyl-4-[4-phenyl-1-(piperidin-3-ylmethyl)piperidin-4-yl]-1,3-thiazole
CID 165418252
3,5-dimethyl-4-[[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]methyl]-1,2-oxazole
CID 165425432
(2S)-2-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]pyrrolidine-1-carboxamide
CID 165425692
2-methyl-4-[4-phenyl-1-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)piperidin-4-yl]-1,3-thiazole
CID 165422083
2-methyl-5-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]-1H-pyrimidin-6-one
CID 165418820

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-1,3,4-thiadiazole?
The IUPAC name of 2-methyl-5-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-1,3,4-thiadiazole (CID 164692403) is 2-methyl-5-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-methyl-5-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-1,3,4-thiadiazole?
The canonical SMILES for 2-methyl-5-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-1,3,4-thiadiazole is Cc1nc(C2(c3ccccc3)CCN(c3nnc(C)s3)CC2)cs1.
What is the InChIKey of 2-methyl-5-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-1,3,4-thiadiazole?
The InChIKey is FBJGVNBDJZCCAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4S2/c1-13-19-16(12-23-13)18(15-6-4-3-5-7-15)8-10-22(11-9-18)17-21-20-14(2)24-17/h3-7,12H,8-11H2,1-2H3.
What are the key properties of 2-methyl-5-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-1,3,4-thiadiazole?
2-methyl-5-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-1,3,4-thiadiazole has a molecular weight of 356.52 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-1,3,4-thiadiazole is sourced from PubChem (CID 164692403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).