1-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-2-(4-propan-2-ylsulfanylphenyl)ethanone

C19H25N3OS2 — CID 71780428

IUPAC1-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-2-(4-propan-2-ylsulfanylphenyl)ethanone
SMILESCc1nnc(C2CCN(C(=O)Cc3ccc(SC(C)C)cc3)CC2)s1
InChIInChI=1S/C19H25N3OS2/c1-13(2)24-17-6-4-15(5-7-17)12-18(23)22-10-8-16(9-11-22)19-21-20-14(3)25-19/h4-7,13,16H,8-12H2,1-3H3
InChIKeyZJTIOGZNYUYFCO-UHFFFAOYSA-N
MW375.56 g/mol
LogP4.30
Rot. Bonds5

About 1-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-2-(4-propan-2-ylsulfanylphenyl)ethanone

1-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-2-(4-propan-2-ylsulfanylphenyl)ethanone (PubChem CID 71780428) has the molecular formula C19H25N3OS2 and a molecular weight of 375.56 g/mol. Its IUPAC name is 1-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-2-(4-propan-2-ylsulfanylphenyl)ethanone.

Molecular Properties

Compound Name1-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-2-(4-propan-2-ylsulfanylphenyl)ethanone
PubChem CID71780428
Molecular FormulaC19H25N3OS2
Molecular Weight375.56 g/mol
Exact Mass375.14
IUPAC Name1-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-2-(4-propan-2-ylsulfanylphenyl)ethanone
SMILESCc1nnc(C2CCN(C(=O)Cc3ccc(SC(C)C)cc3)CC2)s1
InChIInChI=1S/C19H25N3OS2/c1-13(2)24-17-6-4-15(5-7-17)12-18(23)22-10-8-16(9-11-22)19-21-20-14(3)25-19/h4-7,13,16H,8-12H2,1-3H3
InChIKeyZJTIOGZNYUYFCO-UHFFFAOYSA-N
XLogP4.30
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.56
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-(5-Ethyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl)-2-(4-fluorophenyl)ethanone
CID 30864087
2-(p-Fluorophenyl)-1-[3-(5-methyl-1,3,4-thiadiazol-2-yl)-1-piperidyl]-1-ethanone
CID 44069004
1-(4-(5-Isopropyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl)-2-(4-(isopropylthio)phenyl)ethanone
CID 45540395
2-(4-Chlorophenyl)-1-(4-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl)ethanone
CID 30864095
1-(4-(5-Cyclopropyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl)-2-phenylethanone
CID 30864155
1-(3-(5-Methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl)-2-phenylethanone
CID 44069029
(R)-1-[4-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-piperidyl]-2-phenyl-1-butanone
CID 51867922
(4-(5-Methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl)(1-(thiophen-2-yl)cyclopentyl)methanone
CID 71780429
N-[(1-methyl-4-piperidinyl)methyl]-N-(2-phenylethyl)-2-(2-thienyl)acetamide
CID 25295214
2-((4-Fluorophenyl)thio)-1-(3-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl)ethanone
CID 49675862
1-[4-[5-(Cyclopentylmethyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 44068378
1-[4-(5-Cyclopropyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 44068425

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-2-(4-propan-2-ylsulfanylphenyl)ethanone?
The IUPAC name of 1-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-2-(4-propan-2-ylsulfanylphenyl)ethanone (CID 71780428) is 1-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-2-(4-propan-2-ylsulfanylphenyl)ethanone.
What is the SMILES notation for 1-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-2-(4-propan-2-ylsulfanylphenyl)ethanone?
The canonical SMILES for 1-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-2-(4-propan-2-ylsulfanylphenyl)ethanone is Cc1nnc(C2CCN(C(=O)Cc3ccc(SC(C)C)cc3)CC2)s1.
What is the InChIKey of 1-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-2-(4-propan-2-ylsulfanylphenyl)ethanone?
The InChIKey is ZJTIOGZNYUYFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3OS2/c1-13(2)24-17-6-4-15(5-7-17)12-18(23)22-10-8-16(9-11-22)19-21-20-14(3)25-19/h4-7,13,16H,8-12H2,1-3H3.
What are the key properties of 1-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-2-(4-propan-2-ylsulfanylphenyl)ethanone?
1-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-2-(4-propan-2-ylsulfanylphenyl)ethanone has a molecular weight of 375.56 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-2-(4-propan-2-ylsulfanylphenyl)ethanone is sourced from PubChem (CID 71780428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).