1-[4-(4-methoxyphenyl)thiadiazole-5-carbonyl]piperidine-4-carboxamide

C16H18N4O3S — CID 45496019

IUPAC1-[4-(4-methoxyphenyl)thiadiazole-5-carbonyl]piperidine-4-carboxamide
SMILESCOc1ccc(-c2nnsc2C(=O)N2CCC(C(N)=O)CC2)cc1
InChIInChI=1S/C16H18N4O3S/c1-23-12-4-2-10(3-5-12)13-14(24-19-18-13)16(22)20-8-6-11(7-9-20)15(17)21/h2-5,11H,6-9H2,1H3,(H2,17,21)
InChIKeyBJCMDQXCIMUCAH-UHFFFAOYSA-N
MW346.41 g/mol
LogP1.55
Rot. Bonds4

About 1-[4-(4-methoxyphenyl)thiadiazole-5-carbonyl]piperidine-4-carboxamide

1-[4-(4-methoxyphenyl)thiadiazole-5-carbonyl]piperidine-4-carboxamide (PubChem CID 45496019) has the molecular formula C16H18N4O3S and a molecular weight of 346.41 g/mol. Its IUPAC name is 1-[4-(4-methoxyphenyl)thiadiazole-5-carbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-(4-methoxyphenyl)thiadiazole-5-carbonyl]piperidine-4-carboxamide
PubChem CID45496019
Molecular FormulaC16H18N4O3S
Molecular Weight346.41 g/mol
Exact Mass346.11
IUPAC Name1-[4-(4-methoxyphenyl)thiadiazole-5-carbonyl]piperidine-4-carboxamide
SMILESCOc1ccc(-c2nnsc2C(=O)N2CCC(C(N)=O)CC2)cc1
InChIInChI=1S/C16H18N4O3S/c1-23-12-4-2-10(3-5-12)13-14(24-19-18-13)16(22)20-8-6-11(7-9-20)15(17)21/h2-5,11H,6-9H2,1H3,(H2,17,21)
InChIKeyBJCMDQXCIMUCAH-UHFFFAOYSA-N
XLogP1.55
TPSA98.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methoxyphenyl)thiadiazole-5-carbonyl]piperidine-4-carboxamide?
The IUPAC name of 1-[4-(4-methoxyphenyl)thiadiazole-5-carbonyl]piperidine-4-carboxamide (CID 45496019) is 1-[4-(4-methoxyphenyl)thiadiazole-5-carbonyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-(4-methoxyphenyl)thiadiazole-5-carbonyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[4-(4-methoxyphenyl)thiadiazole-5-carbonyl]piperidine-4-carboxamide is COc1ccc(-c2nnsc2C(=O)N2CCC(C(N)=O)CC2)cc1.
What is the InChIKey of 1-[4-(4-methoxyphenyl)thiadiazole-5-carbonyl]piperidine-4-carboxamide?
The InChIKey is BJCMDQXCIMUCAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3S/c1-23-12-4-2-10(3-5-12)13-14(24-19-18-13)16(22)20-8-6-11(7-9-20)15(17)21/h2-5,11H,6-9H2,1H3,(H2,17,21).
What are the key properties of 1-[4-(4-methoxyphenyl)thiadiazole-5-carbonyl]piperidine-4-carboxamide?
1-[4-(4-methoxyphenyl)thiadiazole-5-carbonyl]piperidine-4-carboxamide has a molecular weight of 346.41 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methoxyphenyl)thiadiazole-5-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 45496019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).