N-[[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]methyl]-4-(trifluoromethoxy)benzamide

C18H19F3N4O3S — CID 71796781

IUPACN-[[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]methyl]-4-(trifluoromethoxy)benzamide
SMILESCc1nnsc1C(=O)N1CCC(CNC(=O)c2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C18H19F3N4O3S/c1-11-15(29-24-23-11)17(27)25-8-6-12(7-9-25)10-22-16(26)13-2-4-14(5-3-13)28-18(19,20)21/h2-5,12H,6-10H2,1H3,(H,22,26)
InChIKeyXCZQDDHOLKLNNP-UHFFFAOYSA-N
MW428.44 g/mol
LogP3.03
Rot. Bonds5

About N-[[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]methyl]-4-(trifluoromethoxy)benzamide

N-[[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]methyl]-4-(trifluoromethoxy)benzamide (PubChem CID 71796781) has the molecular formula C18H19F3N4O3S and a molecular weight of 428.44 g/mol. Its IUPAC name is N-[[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]methyl]-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]methyl]-4-(trifluoromethoxy)benzamide
PubChem CID71796781
Molecular FormulaC18H19F3N4O3S
Molecular Weight428.44 g/mol
Exact Mass428.11
IUPAC NameN-[[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]methyl]-4-(trifluoromethoxy)benzamide
SMILESCc1nnsc1C(=O)N1CCC(CNC(=O)c2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C18H19F3N4O3S/c1-11-15(29-24-23-11)17(27)25-8-6-12(7-9-25)10-22-16(26)13-2-4-14(5-3-13)28-18(19,20)21/h2-5,12H,6-10H2,1H3,(H,22,26)
InChIKeyXCZQDDHOLKLNNP-UHFFFAOYSA-N
XLogP3.03
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.44
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]methyl]-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-[[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]methyl]-4-(trifluoromethoxy)benzamide (CID 71796781) is N-[[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]methyl]-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]methyl]-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]methyl]-4-(trifluoromethoxy)benzamide is Cc1nnsc1C(=O)N1CCC(CNC(=O)c2ccc(OC(F)(F)F)cc2)CC1.
What is the InChIKey of N-[[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]methyl]-4-(trifluoromethoxy)benzamide?
The InChIKey is XCZQDDHOLKLNNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4O3S/c1-11-15(29-24-23-11)17(27)25-8-6-12(7-9-25)10-22-16(26)13-2-4-14(5-3-13)28-18(19,20)21/h2-5,12H,6-10H2,1H3,(H,22,26).
What are the key properties of N-[[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]methyl]-4-(trifluoromethoxy)benzamide?
N-[[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]methyl]-4-(trifluoromethoxy)benzamide has a molecular weight of 428.44 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]methyl]-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 71796781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).