1-cyclohexyl-5-oxo-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]pyrrolidine-3-carboxamide

C17H23N5O2S — CID 110627630

IUPAC1-cyclohexyl-5-oxo-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]pyrrolidine-3-carboxamide
SMILESO=C(NCCc1csc2ncnn12)C1CC(=O)N(C2CCCCC2)C1
InChIInChI=1S/C17H23N5O2S/c23-15-8-12(9-21(15)13-4-2-1-3-5-13)16(24)18-7-6-14-10-25-17-19-11-20-22(14)17/h10-13H,1-9H2,(H,18,24)
InChIKeyZZZWWBCWKXSMKD-UHFFFAOYSA-N
MW361.47 g/mol
LogP1.63
Rot. Bonds5

About 1-cyclohexyl-5-oxo-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]pyrrolidine-3-carboxamide

1-cyclohexyl-5-oxo-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]pyrrolidine-3-carboxamide (PubChem CID 110627630) has the molecular formula C17H23N5O2S and a molecular weight of 361.47 g/mol. Its IUPAC name is 1-cyclohexyl-5-oxo-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclohexyl-5-oxo-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]pyrrolidine-3-carboxamide
PubChem CID110627630
Molecular FormulaC17H23N5O2S
Molecular Weight361.47 g/mol
Exact Mass361.16
IUPAC Name1-cyclohexyl-5-oxo-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]pyrrolidine-3-carboxamide
SMILESO=C(NCCc1csc2ncnn12)C1CC(=O)N(C2CCCCC2)C1
InChIInChI=1S/C17H23N5O2S/c23-15-8-12(9-21(15)13-4-2-1-3-5-13)16(24)18-7-6-14-10-25-17-19-11-20-22(14)17/h10-13H,1-9H2,(H,18,24)
InChIKeyZZZWWBCWKXSMKD-UHFFFAOYSA-N
XLogP1.63
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-1-cyclopentyl-5-oxo-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxamide
CID 97119490
N-[2-(cycloheptylamino)ethyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 119619473
(3R)-1-cyclopropyl-5-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidine-3-carboxamide
CID 94353199
1-cyclopropyl-5-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidine-3-carboxamide
CID 49356774
(3R)-1-cyclopentyl-5-oxo-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide
CID 97124433
(3S)-1-cyclopentyl-5-oxo-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide
CID 94181168
2-cyclopentyl-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]propanamide
CID 110354300
N-(3-chloropropyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 17081353
(3R)-1-cyclopentyl-5-oxo-N-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-3-carboxamide
CID 94125463
N-butyl-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 3236135
(3R)-N-[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 97080842
1-cyclopentyl-N-[2-(5-methylthiophen-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 70742007

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-5-oxo-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-cyclohexyl-5-oxo-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]pyrrolidine-3-carboxamide (CID 110627630) is 1-cyclohexyl-5-oxo-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-cyclohexyl-5-oxo-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-cyclohexyl-5-oxo-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]pyrrolidine-3-carboxamide is O=C(NCCc1csc2ncnn12)C1CC(=O)N(C2CCCCC2)C1.
What is the InChIKey of 1-cyclohexyl-5-oxo-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]pyrrolidine-3-carboxamide?
The InChIKey is ZZZWWBCWKXSMKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2S/c23-15-8-12(9-21(15)13-4-2-1-3-5-13)16(24)18-7-6-14-10-25-17-19-11-20-22(14)17/h10-13H,1-9H2,(H,18,24).
What are the key properties of 1-cyclohexyl-5-oxo-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]pyrrolidine-3-carboxamide?
1-cyclohexyl-5-oxo-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]pyrrolidine-3-carboxamide has a molecular weight of 361.47 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-5-oxo-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 110627630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).