N-[5-[(3R)-3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide

C17H19N5O3S2 — CID 92550753

IUPACN-[5-[(3R)-3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(S(=O)(=O)N2CCC[C@@H](c3cc4ncccc4[nH]3)C2)s1
InChIInChI=1S/C17H19N5O3S2/c1-11(23)20-17-19-9-16(26-17)27(24,25)22-7-3-4-12(10-22)14-8-15-13(21-14)5-2-6-18-15/h2,5-6,8-9,12,21H,3-4,7,10H2,1H3,(H,19,20,23)/t12-/m1/s1
InChIKeyQFBXQYIXKSNRKA-GFCCVEGCSA-N
MW405.51 g/mol
LogP2.55
Rot. Bonds4

About N-[5-[(3R)-3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide

N-[5-[(3R)-3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide (PubChem CID 92550753) has the molecular formula C17H19N5O3S2 and a molecular weight of 405.51 g/mol. Its IUPAC name is N-[5-[(3R)-3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[(3R)-3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide
PubChem CID92550753
Molecular FormulaC17H19N5O3S2
Molecular Weight405.51 g/mol
Exact Mass405.09
IUPAC NameN-[5-[(3R)-3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(S(=O)(=O)N2CCC[C@@H](c3cc4ncccc4[nH]3)C2)s1
InChIInChI=1S/C17H19N5O3S2/c1-11(23)20-17-19-9-16(26-17)27(24,25)22-7-3-4-12(10-22)14-8-15-13(21-14)5-2-6-18-15/h2,5-6,8-9,12,21H,3-4,7,10H2,1H3,(H,19,20,23)/t12-/m1/s1
InChIKeyQFBXQYIXKSNRKA-GFCCVEGCSA-N
XLogP2.55
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.51
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-methoxy-5-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]sulfonylphenyl]acetamide
CID 110236459
N-[5-[(3S)-3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide
CID 142415495
N-[5-[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide
CID 122267205
(2,4-dimethyl-1,3-thiazol-5-yl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methanone
CID 155533168
N-[4-[(3R)-3-(1H-indol-2-yl)piperidin-1-yl]sulfonylphenyl]acetamide
CID 51728621
(4-fluorophenyl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)pyrrolidin-1-yl]methanone
CID 155512824
N-[5-(4-cyclohexylpiperazin-1-yl)sulfonyl-1,3-thiazol-2-yl]acetamide
CID 42560676
(2,3-dimethoxyphenyl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methanone
CID 110236393
2-(2-methoxyphenyl)-1-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]ethanone
CID 110236396
2-chloro-5-[3-(1H-pyrazol-5-yl)piperidin-1-yl]sulfonyl-1,3-thiazole
CID 61047388
N-[5-[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide
CID 154581936
2-(3-fluoro-4-methoxyphenyl)-1-[(3S)-3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]ethanone
CID 92597487

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3R)-3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[(3R)-3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide (CID 92550753) is N-[5-[(3R)-3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[(3R)-3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[(3R)-3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(S(=O)(=O)N2CCC[C@@H](c3cc4ncccc4[nH]3)C2)s1.
What is the InChIKey of N-[5-[(3R)-3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide?
The InChIKey is QFBXQYIXKSNRKA-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H19N5O3S2/c1-11(23)20-17-19-9-16(26-17)27(24,25)22-7-3-4-12(10-22)14-8-15-13(21-14)5-2-6-18-15/h2,5-6,8-9,12,21H,3-4,7,10H2,1H3,(H,19,20,23)/t12-/m1/s1.
What are the key properties of N-[5-[(3R)-3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide?
N-[5-[(3R)-3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide has a molecular weight of 405.51 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3R)-3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 92550753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).