5-(3-hydroxypyrrolidin-1-yl)sulfonyl-4-methyl-1,3-thiazole-2-carboxamide

C9H13N3O4S2 — CID 67218989

IUPAC5-(3-hydroxypyrrolidin-1-yl)sulfonyl-4-methyl-1,3-thiazole-2-carboxamide
SMILESCc1nc(C(N)=O)sc1S(=O)(=O)N1CCC(O)C1
InChIInChI=1S/C9H13N3O4S2/c1-5-9(17-8(11-5)7(10)14)18(15,16)12-3-2-6(13)4-12/h6,13H,2-4H2,1H3,(H2,10,14)
InChIKeyIPHWQWAWBZADNM-UHFFFAOYSA-N
MW291.35 g/mol
LogP-0.69
Rot. Bonds3

About 5-(3-hydroxypyrrolidin-1-yl)sulfonyl-4-methyl-1,3-thiazole-2-carboxamide

5-(3-hydroxypyrrolidin-1-yl)sulfonyl-4-methyl-1,3-thiazole-2-carboxamide (PubChem CID 67218989) has the molecular formula C9H13N3O4S2 and a molecular weight of 291.35 g/mol. Its IUPAC name is 5-(3-hydroxypyrrolidin-1-yl)sulfonyl-4-methyl-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name5-(3-hydroxypyrrolidin-1-yl)sulfonyl-4-methyl-1,3-thiazole-2-carboxamide
PubChem CID67218989
Molecular FormulaC9H13N3O4S2
Molecular Weight291.35 g/mol
Exact Mass291.03
IUPAC Name5-(3-hydroxypyrrolidin-1-yl)sulfonyl-4-methyl-1,3-thiazole-2-carboxamide
SMILESCc1nc(C(N)=O)sc1S(=O)(=O)N1CCC(O)C1
InChIInChI=1S/C9H13N3O4S2/c1-5-9(17-8(11-5)7(10)14)18(15,16)12-3-2-6(13)4-12/h6,13H,2-4H2,1H3,(H2,10,14)
InChIKeyIPHWQWAWBZADNM-UHFFFAOYSA-N
XLogP-0.69
TPSA113.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3-hydroxypyrrolidin-1-yl)sulfonyl-4-methyl-1,3-thiazole-2-carboxamide?
The IUPAC name of 5-(3-hydroxypyrrolidin-1-yl)sulfonyl-4-methyl-1,3-thiazole-2-carboxamide (CID 67218989) is 5-(3-hydroxypyrrolidin-1-yl)sulfonyl-4-methyl-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 5-(3-hydroxypyrrolidin-1-yl)sulfonyl-4-methyl-1,3-thiazole-2-carboxamide?
The canonical SMILES for 5-(3-hydroxypyrrolidin-1-yl)sulfonyl-4-methyl-1,3-thiazole-2-carboxamide is Cc1nc(C(N)=O)sc1S(=O)(=O)N1CCC(O)C1.
What is the InChIKey of 5-(3-hydroxypyrrolidin-1-yl)sulfonyl-4-methyl-1,3-thiazole-2-carboxamide?
The InChIKey is IPHWQWAWBZADNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O4S2/c1-5-9(17-8(11-5)7(10)14)18(15,16)12-3-2-6(13)4-12/h6,13H,2-4H2,1H3,(H2,10,14).
What are the key properties of 5-(3-hydroxypyrrolidin-1-yl)sulfonyl-4-methyl-1,3-thiazole-2-carboxamide?
5-(3-hydroxypyrrolidin-1-yl)sulfonyl-4-methyl-1,3-thiazole-2-carboxamide has a molecular weight of 291.35 g/mol, XLogP of -0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxypyrrolidin-1-yl)sulfonyl-4-methyl-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 67218989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).