1-(5-chlorothiophen-2-yl)sulfonyl-N-(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrrolidine-2-carboxamide

C18H23ClN4O3S3 — CID 44976189

IUPAC1-(5-chlorothiophen-2-yl)sulfonyl-N-(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrrolidine-2-carboxamide
SMILESCC(C)N1CCc2nc(NC(=O)C3CCCN3S(=O)(=O)c3ccc(Cl)s3)sc2C1
InChIInChI=1S/C18H23ClN4O3S3/c1-11(2)22-9-7-12-14(10-22)27-18(20-12)21-17(24)13-4-3-8-23(13)29(25,26)16-6-5-15(19)28-16/h5-6,11,13H,3-4,7-10H2,1-2H3,(H,20,21,24)
InChIKeyQDAZOSZYVGXMBZ-UHFFFAOYSA-N
MW475.06 g/mol
LogP3.42
Rot. Bonds5

About 1-(5-chlorothiophen-2-yl)sulfonyl-N-(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrrolidine-2-carboxamide

1-(5-chlorothiophen-2-yl)sulfonyl-N-(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrrolidine-2-carboxamide (PubChem CID 44976189) has the molecular formula C18H23ClN4O3S3 and a molecular weight of 475.06 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)sulfonyl-N-(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)sulfonyl-N-(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrrolidine-2-carboxamide
PubChem CID44976189
Molecular FormulaC18H23ClN4O3S3
Molecular Weight475.06 g/mol
Exact Mass474.06
IUPAC Name1-(5-chlorothiophen-2-yl)sulfonyl-N-(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrrolidine-2-carboxamide
SMILESCC(C)N1CCc2nc(NC(=O)C3CCCN3S(=O)(=O)c3ccc(Cl)s3)sc2C1
InChIInChI=1S/C18H23ClN4O3S3/c1-11(2)22-9-7-12-14(10-22)27-18(20-12)21-17(24)13-4-3-8-23(13)29(25,26)16-6-5-15(19)28-16/h5-6,11,13H,3-4,7-10H2,1-2H3,(H,20,21,24)
InChIKeyQDAZOSZYVGXMBZ-UHFFFAOYSA-N
XLogP3.42
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.06
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-(5-chlorothiophen-2-yl)sulfonyl-N-(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrrolidine-2-carboxamide with MolForge

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Related Compounds

(2R)-1-(5-chlorothiophen-2-yl)sulfonyl-N-[(6R)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]pyrrolidine-2-carboxamide
CID 41398055
1-(4-chlorophenyl)sulfonyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrrolidine-2-carboxamide
CID 16923760
1-(5-chlorothiophen-2-yl)sulfonyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide
CID 16828646
1-[5-(5-chlorothiophen-2-yl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-propan-2-ylurea
CID 90530184
N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 44975979
1-(5-chlorothiophen-2-yl)sulfonyl-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)piperidine-4-carboxamide
CID 18567165
(2R)-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide
CID 33039226
(2R)-1-(5-chlorothiophen-2-yl)sulfonyl-N-phenylpyrrolidine-2-carboxamide
CID 7614870
(2S)-1-(5-chlorothiophen-2-yl)sulfonyl-N-phenylpyrrolidine-2-carboxamide
CID 7614869
1-(5-chlorothiophen-2-yl)sulfonyl-N-phenylpyrrolidine-2-carboxamide
CID 16830926
(2R)-1-(5-chlorothiophen-2-yl)sulfonyl-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide
CID 41398144
1-(5-chlorothiophen-2-yl)sulfonyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide
CID 16830983

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-N-(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-N-(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrrolidine-2-carboxamide (CID 44976189) is 1-(5-chlorothiophen-2-yl)sulfonyl-N-(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)sulfonyl-N-(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)sulfonyl-N-(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrrolidine-2-carboxamide is CC(C)N1CCc2nc(NC(=O)C3CCCN3S(=O)(=O)c3ccc(Cl)s3)sc2C1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)sulfonyl-N-(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrrolidine-2-carboxamide?
The InChIKey is QDAZOSZYVGXMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O3S3/c1-11(2)22-9-7-12-14(10-22)27-18(20-12)21-17(24)13-4-3-8-23(13)29(25,26)16-6-5-15(19)28-16/h5-6,11,13H,3-4,7-10H2,1-2H3,(H,20,21,24).
What are the key properties of 1-(5-chlorothiophen-2-yl)sulfonyl-N-(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrrolidine-2-carboxamide?
1-(5-chlorothiophen-2-yl)sulfonyl-N-(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrrolidine-2-carboxamide has a molecular weight of 475.06 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)sulfonyl-N-(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 44976189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).