N-[[(3R)-1-(4-propylthiadiazole-5-carbonyl)piperidin-3-yl]methyl]thiophene-2-carboxamide

C17H22N4O2S2 — CID 97274746

IUPACN-[[(3R)-1-(4-propylthiadiazole-5-carbonyl)piperidin-3-yl]methyl]thiophene-2-carboxamide
SMILESCCCc1nnsc1C(=O)N1CCC[C@H](CNC(=O)c2cccs2)C1
InChIInChI=1S/C17H22N4O2S2/c1-2-5-13-15(25-20-19-13)17(23)21-8-3-6-12(11-21)10-18-16(22)14-7-4-9-24-14/h4,7,9,12H,2-3,5-6,8,10-11H2,1H3,(H,18,22)/t12-/m1/s1
InChIKeyGGZDHQWMDFIPIH-GFCCVEGCSA-N
MW378.52 g/mol
LogP2.83
Rot. Bonds6

About N-[[(3R)-1-(4-propylthiadiazole-5-carbonyl)piperidin-3-yl]methyl]thiophene-2-carboxamide

N-[[(3R)-1-(4-propylthiadiazole-5-carbonyl)piperidin-3-yl]methyl]thiophene-2-carboxamide (PubChem CID 97274746) has the molecular formula C17H22N4O2S2 and a molecular weight of 378.52 g/mol. Its IUPAC name is N-[[(3R)-1-(4-propylthiadiazole-5-carbonyl)piperidin-3-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[(3R)-1-(4-propylthiadiazole-5-carbonyl)piperidin-3-yl]methyl]thiophene-2-carboxamide
PubChem CID97274746
Molecular FormulaC17H22N4O2S2
Molecular Weight378.52 g/mol
Exact Mass378.12
IUPAC NameN-[[(3R)-1-(4-propylthiadiazole-5-carbonyl)piperidin-3-yl]methyl]thiophene-2-carboxamide
SMILESCCCc1nnsc1C(=O)N1CCC[C@H](CNC(=O)c2cccs2)C1
InChIInChI=1S/C17H22N4O2S2/c1-2-5-13-15(25-20-19-13)17(23)21-8-3-6-12(11-21)10-18-16(22)14-7-4-9-24-14/h4,7,9,12H,2-3,5-6,8,10-11H2,1H3,(H,18,22)/t12-/m1/s1
InChIKeyGGZDHQWMDFIPIH-GFCCVEGCSA-N
XLogP2.83
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-(4-propylthiadiazole-5-carbonyl)piperidin-3-yl]methyl]thiophene-2-carboxamide?
The IUPAC name of N-[[(3R)-1-(4-propylthiadiazole-5-carbonyl)piperidin-3-yl]methyl]thiophene-2-carboxamide (CID 97274746) is N-[[(3R)-1-(4-propylthiadiazole-5-carbonyl)piperidin-3-yl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[[(3R)-1-(4-propylthiadiazole-5-carbonyl)piperidin-3-yl]methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[[(3R)-1-(4-propylthiadiazole-5-carbonyl)piperidin-3-yl]methyl]thiophene-2-carboxamide is CCCc1nnsc1C(=O)N1CCC[C@H](CNC(=O)c2cccs2)C1.
What is the InChIKey of N-[[(3R)-1-(4-propylthiadiazole-5-carbonyl)piperidin-3-yl]methyl]thiophene-2-carboxamide?
The InChIKey is GGZDHQWMDFIPIH-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H22N4O2S2/c1-2-5-13-15(25-20-19-13)17(23)21-8-3-6-12(11-21)10-18-16(22)14-7-4-9-24-14/h4,7,9,12H,2-3,5-6,8,10-11H2,1H3,(H,18,22)/t12-/m1/s1.
What are the key properties of N-[[(3R)-1-(4-propylthiadiazole-5-carbonyl)piperidin-3-yl]methyl]thiophene-2-carboxamide?
N-[[(3R)-1-(4-propylthiadiazole-5-carbonyl)piperidin-3-yl]methyl]thiophene-2-carboxamide has a molecular weight of 378.52 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-(4-propylthiadiazole-5-carbonyl)piperidin-3-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 97274746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).