N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-3-(2-methylpropoxy)pyrrolidine-1-carboxamide

C16H28N4O2S — CID 75379889

IUPACN-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-3-(2-methylpropoxy)pyrrolidine-1-carboxamide
SMILESCC(C)COC1CCN(C(=O)NCc2nnc(C(C)(C)C)s2)C1
InChIInChI=1S/C16H28N4O2S/c1-11(2)10-22-12-6-7-20(9-12)15(21)17-8-13-18-19-14(23-13)16(3,4)5/h11-12H,6-10H2,1-5H3,(H,17,21)
InChIKeyJQDSHLTZWHOJMO-UHFFFAOYSA-N
MW340.49 g/mol
LogP2.79
Rot. Bonds5

About N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-3-(2-methylpropoxy)pyrrolidine-1-carboxamide

N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-3-(2-methylpropoxy)pyrrolidine-1-carboxamide (PubChem CID 75379889) has the molecular formula C16H28N4O2S and a molecular weight of 340.49 g/mol. Its IUPAC name is N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-3-(2-methylpropoxy)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-3-(2-methylpropoxy)pyrrolidine-1-carboxamide
PubChem CID75379889
Molecular FormulaC16H28N4O2S
Molecular Weight340.49 g/mol
Exact Mass340.19
IUPAC NameN-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-3-(2-methylpropoxy)pyrrolidine-1-carboxamide
SMILESCC(C)COC1CCN(C(=O)NCc2nnc(C(C)(C)C)s2)C1
InChIInChI=1S/C16H28N4O2S/c1-11(2)10-22-12-6-7-20(9-12)15(21)17-8-13-18-19-14(23-13)16(3,4)5/h11-12H,6-10H2,1-5H3,(H,17,21)
InChIKeyJQDSHLTZWHOJMO-UHFFFAOYSA-N
XLogP2.79
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-tert-butyl-N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]piperidine-1-carboxamide
CID 127463918
3-(2-methylpropoxy)-N-(thiophen-3-ylmethyl)pyrrolidine-1-carboxamide
CID 75379878
(3R)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-(2-methylpropoxy)pyrrolidine-1-carboxamide
CID 97067014
(6R)-N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-2,2-dimethyl-6-(trifluoromethyl)morpholine-4-carboxamide
CID 129345345
4-[[3-(2-methylpropoxy)pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 122024360
N-[(4-cyano-2-fluorophenyl)methyl]-3-(2-methylpropoxy)pyrrolidine-1-carboxamide
CID 75426477
3-(2-methylpropoxy)-N-(1-propan-2-ylpyrazol-4-yl)pyrrolidine-1-carboxamide
CID 71970584
2-[3-(2-methylpropoxy)pyrrolidine-1-carbonyl]pyridine-4-carboxylic acid
CID 122056069
[3-(2-methylpropoxy)pyrrolidin-1-yl]-[2-(2-methylpropyl)-1,3-thiazol-4-yl]methanone
CID 136514652
(3S)-N-(5-fluoro-2-pyridinyl)-3-(2-methylpropoxy)pyrrolidine-1-carboxamide
CID 99598686
2-amino-2-methyl-1-[4-(2-methylpropoxy)piperidin-1-yl]propan-1-one
CID 83625811
N-(3-fluoro-4-pyridinyl)-3-(2-methylpropoxy)pyrrolidine-1-carboxamide
CID 75522492

Frequently Asked Questions

What is the IUPAC name of N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-3-(2-methylpropoxy)pyrrolidine-1-carboxamide?
The IUPAC name of N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-3-(2-methylpropoxy)pyrrolidine-1-carboxamide (CID 75379889) is N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-3-(2-methylpropoxy)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-3-(2-methylpropoxy)pyrrolidine-1-carboxamide?
The canonical SMILES for N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-3-(2-methylpropoxy)pyrrolidine-1-carboxamide is CC(C)COC1CCN(C(=O)NCc2nnc(C(C)(C)C)s2)C1.
What is the InChIKey of N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-3-(2-methylpropoxy)pyrrolidine-1-carboxamide?
The InChIKey is JQDSHLTZWHOJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O2S/c1-11(2)10-22-12-6-7-20(9-12)15(21)17-8-13-18-19-14(23-13)16(3,4)5/h11-12H,6-10H2,1-5H3,(H,17,21).
What are the key properties of N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-3-(2-methylpropoxy)pyrrolidine-1-carboxamide?
N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-3-(2-methylpropoxy)pyrrolidine-1-carboxamide has a molecular weight of 340.49 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-3-(2-methylpropoxy)pyrrolidine-1-carboxamide is sourced from PubChem (CID 75379889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).