2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1-tert-butyl-5-oxopyrrolidin-3-yl)methyl]-N-methylacetamide

C14H23N5O2S2 — CID 46984029

IUPAC2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1-tert-butyl-5-oxopyrrolidin-3-yl)methyl]-N-methylacetamide
SMILESCN(CC1CC(=O)N(C(C)(C)C)C1)C(=O)CSc1nnc(N)s1
InChIInChI=1S/C14H23N5O2S2/c1-14(2,3)19-7-9(5-10(19)20)6-18(4)11(21)8-22-13-17-16-12(15)23-13/h9H,5-8H2,1-4H3,(H2,15,16)
InChIKeyDZQBDFZQTCSGII-UHFFFAOYSA-N
MW357.51 g/mol
LogP1.32
Rot. Bonds5

About 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1-tert-butyl-5-oxopyrrolidin-3-yl)methyl]-N-methylacetamide

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1-tert-butyl-5-oxopyrrolidin-3-yl)methyl]-N-methylacetamide (PubChem CID 46984029) has the molecular formula C14H23N5O2S2 and a molecular weight of 357.51 g/mol. Its IUPAC name is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1-tert-butyl-5-oxopyrrolidin-3-yl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1-tert-butyl-5-oxopyrrolidin-3-yl)methyl]-N-methylacetamide
PubChem CID46984029
Molecular FormulaC14H23N5O2S2
Molecular Weight357.51 g/mol
Exact Mass357.13
IUPAC Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1-tert-butyl-5-oxopyrrolidin-3-yl)methyl]-N-methylacetamide
SMILESCN(CC1CC(=O)N(C(C)(C)C)C1)C(=O)CSc1nnc(N)s1
InChIInChI=1S/C14H23N5O2S2/c1-14(2,3)19-7-9(5-10(19)20)6-18(4)11(21)8-22-13-17-16-12(15)23-13/h9H,5-8H2,1-4H3,(H2,15,16)
InChIKeyDZQBDFZQTCSGII-UHFFFAOYSA-N
XLogP1.32
TPSA92.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.51
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-tert-butyl-N-{5-[(2-methoxyethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-5-oxopyrrolidine-3-carboxamide
CID 6472199
1-{[(5-amino-1,3,4-thiadiazol-2-yl)thio]acetyl}-N-ethylpyrrolidine-3-carboxamide
CID 46994099
2-[(5-Amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylpropan-1-one
CID 4883182
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-bis(3-methylbutyl)acetamide
CID 16266977
1-[2-[[5-(Tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]pyrrolidin-2-one
CID 17415678
1-[2-[(5-Amino-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]pyrrolidine-2,5-dione
CID 20454970
(2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylpropan-1-one
CID 2481296
(2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylpropan-1-one
CID 2481299
N-[5-(butan-2-ylsulfanyl)-1,3,4-thiadiazol-2-yl]-1-tert-butyl-5-oxopyrrolidine-3-carboxamide
CID 6497377
(3R)-1-tert-butyl-N-[5-(2-methoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 7438358
(3S)-1-tert-butyl-N-[5-(2-methoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 7438359
(3R)-N-[5-[(2R)-butan-2-yl]sulfanyl-1,3,4-thiadiazol-2-yl]-1-tert-butyl-5-oxopyrrolidine-3-carboxamide
CID 7438375

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1-tert-butyl-5-oxopyrrolidin-3-yl)methyl]-N-methylacetamide?
The IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1-tert-butyl-5-oxopyrrolidin-3-yl)methyl]-N-methylacetamide (CID 46984029) is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1-tert-butyl-5-oxopyrrolidin-3-yl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1-tert-butyl-5-oxopyrrolidin-3-yl)methyl]-N-methylacetamide?
The canonical SMILES for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1-tert-butyl-5-oxopyrrolidin-3-yl)methyl]-N-methylacetamide is CN(CC1CC(=O)N(C(C)(C)C)C1)C(=O)CSc1nnc(N)s1.
What is the InChIKey of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1-tert-butyl-5-oxopyrrolidin-3-yl)methyl]-N-methylacetamide?
The InChIKey is DZQBDFZQTCSGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2S2/c1-14(2,3)19-7-9(5-10(19)20)6-18(4)11(21)8-22-13-17-16-12(15)23-13/h9H,5-8H2,1-4H3,(H2,15,16).
What are the key properties of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1-tert-butyl-5-oxopyrrolidin-3-yl)methyl]-N-methylacetamide?
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1-tert-butyl-5-oxopyrrolidin-3-yl)methyl]-N-methylacetamide has a molecular weight of 357.51 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1-tert-butyl-5-oxopyrrolidin-3-yl)methyl]-N-methylacetamide is sourced from PubChem (CID 46984029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).