N-[(3R)-1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]-1-propylcyclopropane-1-carboxamide

C16H26N4O2S — CID 154803149

IUPACN-[(3R)-1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]-1-propylcyclopropane-1-carboxamide
SMILESCCCC1(C(=O)N[C@@H]2CCN(c3nc(CCOC)ns3)C2)CC1
InChIInChI=1S/C16H26N4O2S/c1-3-6-16(7-8-16)14(21)17-12-4-9-20(11-12)15-18-13(19-23-15)5-10-22-2/h12H,3-11H2,1-2H3,(H,17,21)/t12-/m1/s1
InChIKeyPXKRTJIBEXFSMO-GFCCVEGCSA-N
MW338.48 g/mol
LogP2.00
Rot. Bonds8

About N-[(3R)-1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]-1-propylcyclopropane-1-carboxamide

N-[(3R)-1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]-1-propylcyclopropane-1-carboxamide (PubChem CID 154803149) has the molecular formula C16H26N4O2S and a molecular weight of 338.48 g/mol. Its IUPAC name is N-[(3R)-1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]-1-propylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]-1-propylcyclopropane-1-carboxamide
PubChem CID154803149
Molecular FormulaC16H26N4O2S
Molecular Weight338.48 g/mol
Exact Mass338.18
IUPAC NameN-[(3R)-1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]-1-propylcyclopropane-1-carboxamide
SMILESCCCC1(C(=O)N[C@@H]2CCN(c3nc(CCOC)ns3)C2)CC1
InChIInChI=1S/C16H26N4O2S/c1-3-6-16(7-8-16)14(21)17-12-4-9-20(11-12)15-18-13(19-23-15)5-10-22-2/h12H,3-11H2,1-2H3,(H,17,21)/t12-/m1/s1
InChIKeyPXKRTJIBEXFSMO-GFCCVEGCSA-N
XLogP2.00
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-ol
CID 165434371
1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]-N-methylpiperidine-3-carboxamide
CID 166605829
N-[1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]-1-methylpyrazole-3-carboxamide
CID 171993892
1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]-N-methylazetidine-3-carboxamide
CID 171691207
2,3-dihydroindol-1-yl-[1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]methanone
CID 172901973
[1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-yl]-piperidin-1-ylmethanone
CID 172899870
1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]-3-methylpyrrolidin-3-ol
CID 133410736
1-(2-methoxyethyl)-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidin-3-yl]cyclopentane-1-carboxamide
CID 136559547
1-(2-methoxyethyl)-N-[(3S)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidin-3-yl]cyclopentane-1-carboxamide
CID 164633020
5-(5-azaspiro[2.5]octan-5-yl)-3-(2-methoxyethyl)-1,2,4-thiadiazole
CID 133480904
2,2-diethyl-4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]-1,4-thiazinane 1-oxide
CID 133479707
3-(2-methoxyethyl)-5-[3-(triazol-2-yl)azetidin-1-yl]-1,2,4-thiadiazole
CID 154575557

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]-1-propylcyclopropane-1-carboxamide?
The IUPAC name of N-[(3R)-1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]-1-propylcyclopropane-1-carboxamide (CID 154803149) is N-[(3R)-1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]-1-propylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[(3R)-1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]-1-propylcyclopropane-1-carboxamide?
The canonical SMILES for N-[(3R)-1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]-1-propylcyclopropane-1-carboxamide is CCCC1(C(=O)N[C@@H]2CCN(c3nc(CCOC)ns3)C2)CC1.
What is the InChIKey of N-[(3R)-1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]-1-propylcyclopropane-1-carboxamide?
The InChIKey is PXKRTJIBEXFSMO-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H26N4O2S/c1-3-6-16(7-8-16)14(21)17-12-4-9-20(11-12)15-18-13(19-23-15)5-10-22-2/h12H,3-11H2,1-2H3,(H,17,21)/t12-/m1/s1.
What are the key properties of N-[(3R)-1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]-1-propylcyclopropane-1-carboxamide?
N-[(3R)-1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]-1-propylcyclopropane-1-carboxamide has a molecular weight of 338.48 g/mol, XLogP of 2.00, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]-1-propylcyclopropane-1-carboxamide is sourced from PubChem (CID 154803149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).