1-[4-[4-(4-methoxyphenyl)thiadiazole-5-carbonyl]piperazin-1-yl]ethanone

C16H18N4O3S — CID 45496014

IUPAC1-[4-[4-(4-methoxyphenyl)thiadiazole-5-carbonyl]piperazin-1-yl]ethanone
SMILESCOc1ccc(-c2nnsc2C(=O)N2CCN(C(C)=O)CC2)cc1
InChIInChI=1S/C16H18N4O3S/c1-11(21)19-7-9-20(10-8-19)16(22)15-14(17-18-24-15)12-3-5-13(23-2)6-4-12/h3-6H,7-10H2,1-2H3
InChIKeyWFRWLVYVCUGOEU-UHFFFAOYSA-N
MW346.41 g/mol
LogP1.52
Rot. Bonds3

About 1-[4-[4-(4-methoxyphenyl)thiadiazole-5-carbonyl]piperazin-1-yl]ethanone

1-[4-[4-(4-methoxyphenyl)thiadiazole-5-carbonyl]piperazin-1-yl]ethanone (PubChem CID 45496014) has the molecular formula C16H18N4O3S and a molecular weight of 346.41 g/mol. Its IUPAC name is 1-[4-[4-(4-methoxyphenyl)thiadiazole-5-carbonyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[4-(4-methoxyphenyl)thiadiazole-5-carbonyl]piperazin-1-yl]ethanone
PubChem CID45496014
Molecular FormulaC16H18N4O3S
Molecular Weight346.41 g/mol
Exact Mass346.11
IUPAC Name1-[4-[4-(4-methoxyphenyl)thiadiazole-5-carbonyl]piperazin-1-yl]ethanone
SMILESCOc1ccc(-c2nnsc2C(=O)N2CCN(C(C)=O)CC2)cc1
InChIInChI=1S/C16H18N4O3S/c1-11(21)19-7-9-20(10-8-19)16(22)15-14(17-18-24-15)12-3-5-13(23-2)6-4-12/h3-6H,7-10H2,1-2H3
InChIKeyWFRWLVYVCUGOEU-UHFFFAOYSA-N
XLogP1.52
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

CID 16188678
CID 16188678
CID 16191264
CID 16191264
CID 45490755
CID 45490755
CID 45491107
CID 45491107
CID 45491431
CID 45491431
CID 45492013
CID 45492013
CID 45494518
CID 45494518
CID 45495391
CID 45495391
CID 45496019
CID 45496019
CID 71796781
CID 71796781
CID 16675396
CID 16675396
CID 7293433
CID 7293433

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(4-methoxyphenyl)thiadiazole-5-carbonyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[4-(4-methoxyphenyl)thiadiazole-5-carbonyl]piperazin-1-yl]ethanone (CID 45496014) is 1-[4-[4-(4-methoxyphenyl)thiadiazole-5-carbonyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[4-(4-methoxyphenyl)thiadiazole-5-carbonyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[4-(4-methoxyphenyl)thiadiazole-5-carbonyl]piperazin-1-yl]ethanone is COc1ccc(-c2nnsc2C(=O)N2CCN(C(C)=O)CC2)cc1.
What is the InChIKey of 1-[4-[4-(4-methoxyphenyl)thiadiazole-5-carbonyl]piperazin-1-yl]ethanone?
The InChIKey is WFRWLVYVCUGOEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3S/c1-11(21)19-7-9-20(10-8-19)16(22)15-14(17-18-24-15)12-3-5-13(23-2)6-4-12/h3-6H,7-10H2,1-2H3.
What are the key properties of 1-[4-[4-(4-methoxyphenyl)thiadiazole-5-carbonyl]piperazin-1-yl]ethanone?
1-[4-[4-(4-methoxyphenyl)thiadiazole-5-carbonyl]piperazin-1-yl]ethanone has a molecular weight of 346.41 g/mol, XLogP of 1.52, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(4-methoxyphenyl)thiadiazole-5-carbonyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 45496014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).