N-[(3S)-2,2-dimethyl-6-oxopiperidin-3-yl]-5-methyl-1,3,4-thiadiazole-2-carboxamide

C11H16N4O2S — CID 164635892

IUPACN-[(3S)-2,2-dimethyl-6-oxopiperidin-3-yl]-5-methyl-1,3,4-thiadiazole-2-carboxamide
SMILESCc1nnc(C(=O)N[C@H]2CCC(=O)NC2(C)C)s1
InChIInChI=1S/C11H16N4O2S/c1-6-14-15-10(18-6)9(17)12-7-4-5-8(16)13-11(7,2)3/h7H,4-5H2,1-3H3,(H,12,17)(H,13,16)/t7-/m0/s1
InChIKeyDYZYYGOVCLGXKZ-ZETCQYMHSA-N
MW268.34 g/mol
LogP0.63
Rot. Bonds2

About N-[(3S)-2,2-dimethyl-6-oxopiperidin-3-yl]-5-methyl-1,3,4-thiadiazole-2-carboxamide

N-[(3S)-2,2-dimethyl-6-oxopiperidin-3-yl]-5-methyl-1,3,4-thiadiazole-2-carboxamide (PubChem CID 164635892) has the molecular formula C11H16N4O2S and a molecular weight of 268.34 g/mol. Its IUPAC name is N-[(3S)-2,2-dimethyl-6-oxopiperidin-3-yl]-5-methyl-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-[(3S)-2,2-dimethyl-6-oxopiperidin-3-yl]-5-methyl-1,3,4-thiadiazole-2-carboxamide
PubChem CID164635892
Molecular FormulaC11H16N4O2S
Molecular Weight268.34 g/mol
Exact Mass268.10
IUPAC NameN-[(3S)-2,2-dimethyl-6-oxopiperidin-3-yl]-5-methyl-1,3,4-thiadiazole-2-carboxamide
SMILESCc1nnc(C(=O)N[C@H]2CCC(=O)NC2(C)C)s1
InChIInChI=1S/C11H16N4O2S/c1-6-14-15-10(18-6)9(17)12-7-4-5-8(16)13-11(7,2)3/h7H,4-5H2,1-3H3,(H,12,17)(H,13,16)/t7-/m0/s1
InChIKeyDYZYYGOVCLGXKZ-ZETCQYMHSA-N
XLogP0.63
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-2,2-dimethyl-6-oxopiperidin-3-yl]-5-methyl-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-[(3S)-2,2-dimethyl-6-oxopiperidin-3-yl]-5-methyl-1,3,4-thiadiazole-2-carboxamide (CID 164635892) is N-[(3S)-2,2-dimethyl-6-oxopiperidin-3-yl]-5-methyl-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-[(3S)-2,2-dimethyl-6-oxopiperidin-3-yl]-5-methyl-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-[(3S)-2,2-dimethyl-6-oxopiperidin-3-yl]-5-methyl-1,3,4-thiadiazole-2-carboxamide is Cc1nnc(C(=O)N[C@H]2CCC(=O)NC2(C)C)s1.
What is the InChIKey of N-[(3S)-2,2-dimethyl-6-oxopiperidin-3-yl]-5-methyl-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is DYZYYGOVCLGXKZ-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H16N4O2S/c1-6-14-15-10(18-6)9(17)12-7-4-5-8(16)13-11(7,2)3/h7H,4-5H2,1-3H3,(H,12,17)(H,13,16)/t7-/m0/s1.
What are the key properties of N-[(3S)-2,2-dimethyl-6-oxopiperidin-3-yl]-5-methyl-1,3,4-thiadiazole-2-carboxamide?
N-[(3S)-2,2-dimethyl-6-oxopiperidin-3-yl]-5-methyl-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 268.34 g/mol, XLogP of 0.63, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-2,2-dimethyl-6-oxopiperidin-3-yl]-5-methyl-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 164635892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).