5-[1-(1-methylcyclopropanecarbonyl)pyrrolidin-2-yl]-N-[2-(1,3-thiazol-2-yl)ethyl]thiophene-2-carboxamide

C19H23N3O2S2 — CID 45190874

IUPAC5-[1-(1-methylcyclopropanecarbonyl)pyrrolidin-2-yl]-N-[2-(1,3-thiazol-2-yl)ethyl]thiophene-2-carboxamide
SMILESCC1(C(=O)N2CCCC2c2ccc(C(=O)NCCc3nccs3)s2)CC1
InChIInChI=1S/C19H23N3O2S2/c1-19(7-8-19)18(24)22-11-2-3-13(22)14-4-5-15(26-14)17(23)21-9-6-16-20-10-12-25-16/h4-5,10,12-13H,2-3,6-9,11H2,1H3,(H,21,23)
InChIKeyYALBFEJTCWMJKL-UHFFFAOYSA-N
MW389.55 g/mol
LogP3.64
Rot. Bonds6

About 5-[1-(1-methylcyclopropanecarbonyl)pyrrolidin-2-yl]-N-[2-(1,3-thiazol-2-yl)ethyl]thiophene-2-carboxamide

5-[1-(1-methylcyclopropanecarbonyl)pyrrolidin-2-yl]-N-[2-(1,3-thiazol-2-yl)ethyl]thiophene-2-carboxamide (PubChem CID 45190874) has the molecular formula C19H23N3O2S2 and a molecular weight of 389.55 g/mol. Its IUPAC name is 5-[1-(1-methylcyclopropanecarbonyl)pyrrolidin-2-yl]-N-[2-(1,3-thiazol-2-yl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-[1-(1-methylcyclopropanecarbonyl)pyrrolidin-2-yl]-N-[2-(1,3-thiazol-2-yl)ethyl]thiophene-2-carboxamide
PubChem CID45190874
Molecular FormulaC19H23N3O2S2
Molecular Weight389.55 g/mol
Exact Mass389.12
IUPAC Name5-[1-(1-methylcyclopropanecarbonyl)pyrrolidin-2-yl]-N-[2-(1,3-thiazol-2-yl)ethyl]thiophene-2-carboxamide
SMILESCC1(C(=O)N2CCCC2c2ccc(C(=O)NCCc3nccs3)s2)CC1
InChIInChI=1S/C19H23N3O2S2/c1-19(7-8-19)18(24)22-11-2-3-13(22)14-4-5-15(26-14)17(23)21-9-6-16-20-10-12-25-16/h4-5,10,12-13H,2-3,6-9,11H2,1H3,(H,21,23)
InChIKeyYALBFEJTCWMJKL-UHFFFAOYSA-N
XLogP3.64
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.55
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidine-3-carboxamide
CID 63239936
(2S)-1-[2-(1,3-thiazol-2-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78927419
5-[1-(3,3-dimethylbutyl)pyrrolidin-2-yl]-N-(2-pyrazin-2-ylethyl)thiophene-2-carboxamide
CID 45245622
3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxamide
CID 63239889
5-[1-(2-methylsulfanylacetyl)pyrrolidin-2-yl]-N-(3-pyrazol-1-ylpropyl)thiophene-2-carboxamide
CID 45202930
5-[1-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]pyrrolidin-2-yl]-N-ethylthiophene-2-carboxamide
CID 45183238
5-[(2R)-1-(furan-3-ylmethyl)pyrrolidin-2-yl]-N-(2-pyridin-4-ylethyl)thiophene-2-carboxamide
CID 30854184
5-[1-[3-(1,2-oxazolidin-2-yl)propanoyl]pyrrolidin-2-yl]-N-propylthiophene-2-carboxamide
CID 45220914
5-[1-(furan-3-ylmethyl)pyrrolidin-2-yl]-N-(2-pyrazin-2-ylethyl)thiophene-2-carboxamide
CID 45206718
N-[2-(2-hydroxyethoxy)ethyl]-5-[1-(1,3-thiazole-4-carbonyl)pyrrolidin-2-yl]thiophene-2-carboxamide
CID 45213273
5-[(2R)-1-(furan-2-ylmethyl)pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 31105543
5-[(2R)-1-(1-benzofuran-5-carbonyl)pyrrolidin-2-yl]-N-propylthiophene-2-carboxamide
CID 29056960

Frequently Asked Questions

What is the IUPAC name of 5-[1-(1-methylcyclopropanecarbonyl)pyrrolidin-2-yl]-N-[2-(1,3-thiazol-2-yl)ethyl]thiophene-2-carboxamide?
The IUPAC name of 5-[1-(1-methylcyclopropanecarbonyl)pyrrolidin-2-yl]-N-[2-(1,3-thiazol-2-yl)ethyl]thiophene-2-carboxamide (CID 45190874) is 5-[1-(1-methylcyclopropanecarbonyl)pyrrolidin-2-yl]-N-[2-(1,3-thiazol-2-yl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-[1-(1-methylcyclopropanecarbonyl)pyrrolidin-2-yl]-N-[2-(1,3-thiazol-2-yl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-[1-(1-methylcyclopropanecarbonyl)pyrrolidin-2-yl]-N-[2-(1,3-thiazol-2-yl)ethyl]thiophene-2-carboxamide is CC1(C(=O)N2CCCC2c2ccc(C(=O)NCCc3nccs3)s2)CC1.
What is the InChIKey of 5-[1-(1-methylcyclopropanecarbonyl)pyrrolidin-2-yl]-N-[2-(1,3-thiazol-2-yl)ethyl]thiophene-2-carboxamide?
The InChIKey is YALBFEJTCWMJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S2/c1-19(7-8-19)18(24)22-11-2-3-13(22)14-4-5-15(26-14)17(23)21-9-6-16-20-10-12-25-16/h4-5,10,12-13H,2-3,6-9,11H2,1H3,(H,21,23).
What are the key properties of 5-[1-(1-methylcyclopropanecarbonyl)pyrrolidin-2-yl]-N-[2-(1,3-thiazol-2-yl)ethyl]thiophene-2-carboxamide?
5-[1-(1-methylcyclopropanecarbonyl)pyrrolidin-2-yl]-N-[2-(1,3-thiazol-2-yl)ethyl]thiophene-2-carboxamide has a molecular weight of 389.55 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(1-methylcyclopropanecarbonyl)pyrrolidin-2-yl]-N-[2-(1,3-thiazol-2-yl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 45190874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).