2-[2-(pyridin-2-ylmethyl)-1,3-thiazol-4-yl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide

C21H22N4O3S2 — CID 47029385

IUPAC2-[2-(pyridin-2-ylmethyl)-1,3-thiazol-4-yl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
SMILESO=C(Cc1csc(Cc2ccccn2)n1)Nc1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C21H22N4O3S2/c26-20(13-18-15-29-21(24-18)14-16-6-1-2-9-22-16)23-17-7-5-8-19(12-17)30(27,28)25-10-3-4-11-25/h1-2,5-9,12,15H,3-4,10-11,13-14H2,(H,23,26)
InChIKeyKVMJCJSGXMVGLB-UHFFFAOYSA-N
MW442.57 g/mol
LogP3.09
Rot. Bonds7

About 2-[2-(pyridin-2-ylmethyl)-1,3-thiazol-4-yl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide

2-[2-(pyridin-2-ylmethyl)-1,3-thiazol-4-yl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide (PubChem CID 47029385) has the molecular formula C21H22N4O3S2 and a molecular weight of 442.57 g/mol. Its IUPAC name is 2-[2-(pyridin-2-ylmethyl)-1,3-thiazol-4-yl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(pyridin-2-ylmethyl)-1,3-thiazol-4-yl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
PubChem CID47029385
Molecular FormulaC21H22N4O3S2
Molecular Weight442.57 g/mol
Exact Mass442.11
IUPAC Name2-[2-(pyridin-2-ylmethyl)-1,3-thiazol-4-yl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
SMILESO=C(Cc1csc(Cc2ccccn2)n1)Nc1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C21H22N4O3S2/c26-20(13-18-15-29-21(24-18)14-16-6-1-2-9-22-16)23-17-7-5-8-19(12-17)30(27,28)25-10-3-4-11-25/h1-2,5-9,12,15H,3-4,10-11,13-14H2,(H,23,26)
InChIKeyKVMJCJSGXMVGLB-UHFFFAOYSA-N
XLogP3.09
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.57
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 16573037
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CID 4785250
N-(3-piperidin-1-ylsulfonylphenyl)-2-pyridin-2-ylsulfanylacetamide
CID 7753229
2-(2-benzyl-1,3-thiazol-4-yl)-N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]acetamide
CID 38766050
N-(6-methoxynaphthalen-2-yl)-2-[2-(pyridin-2-ylmethyl)-1,3-thiazol-4-yl]acetamide
CID 166197937
2-naphthalen-1-yl-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 7926207
N-(3-acetamidophenyl)-2-[2-(2-pyridin-2-ylethyl)-1,3-thiazol-4-yl]acetamide
CID 110389584
N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 55664739
2-(2-methylphenyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 8614711
N-(3-morpholin-4-ylsulfonylphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 55386608
N-[3-(2-oxoazepan-1-yl)propyl]-2-[2-(pyridin-2-ylmethyl)-1,3-thiazol-4-yl]acetamide
CID 47044907
N-(pyridin-2-ylmethyl)-3-pyrrolidin-1-ylsulfonylbenzamide
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Frequently Asked Questions

What is the IUPAC name of 2-[2-(pyridin-2-ylmethyl)-1,3-thiazol-4-yl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-[2-(pyridin-2-ylmethyl)-1,3-thiazol-4-yl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide (CID 47029385) is 2-[2-(pyridin-2-ylmethyl)-1,3-thiazol-4-yl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-[2-(pyridin-2-ylmethyl)-1,3-thiazol-4-yl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-[2-(pyridin-2-ylmethyl)-1,3-thiazol-4-yl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide is O=C(Cc1csc(Cc2ccccn2)n1)Nc1cccc(S(=O)(=O)N2CCCC2)c1.
What is the InChIKey of 2-[2-(pyridin-2-ylmethyl)-1,3-thiazol-4-yl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is KVMJCJSGXMVGLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3S2/c26-20(13-18-15-29-21(24-18)14-16-6-1-2-9-22-16)23-17-7-5-8-19(12-17)30(27,28)25-10-3-4-11-25/h1-2,5-9,12,15H,3-4,10-11,13-14H2,(H,23,26).
What are the key properties of 2-[2-(pyridin-2-ylmethyl)-1,3-thiazol-4-yl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide?
2-[2-(pyridin-2-ylmethyl)-1,3-thiazol-4-yl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 442.57 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(pyridin-2-ylmethyl)-1,3-thiazol-4-yl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 47029385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).