N-[2-[6-(piperazin-1-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-3-pyridin-2-ylbenzamide

C29H26N6OS — CID 25144870

IUPACN-[2-[6-(piperazin-1-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-3-pyridin-2-ylbenzamide
SMILESO=C(Nc1ccccc1-c1nc2cc(CN3CCNCC3)cnc2s1)c1cccc(-c2ccccn2)c1
InChIInChI=1S/C29H26N6OS/c36-27(22-7-5-6-21(17-22)24-9-3-4-11-31-24)33-25-10-2-1-8-23(25)28-34-26-16-20(18-32-29(26)37-28)19-35-14-12-30-13-15-35/h1-11,16-18,30H,12-15,19H2,(H,33,36)
InChIKeyYOHISHRITGWTBP-UHFFFAOYSA-N
MW506.64 g/mol
LogP5.08
Rot. Bonds6

About N-[2-[6-(piperazin-1-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-3-pyridin-2-ylbenzamide

N-[2-[6-(piperazin-1-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-3-pyridin-2-ylbenzamide (PubChem CID 25144870) has the molecular formula C29H26N6OS and a molecular weight of 506.64 g/mol. Its IUPAC name is N-[2-[6-(piperazin-1-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-3-pyridin-2-ylbenzamide.

Molecular Properties

Compound NameN-[2-[6-(piperazin-1-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-3-pyridin-2-ylbenzamide
PubChem CID25144870
Molecular FormulaC29H26N6OS
Molecular Weight506.64 g/mol
Exact Mass506.19
IUPAC NameN-[2-[6-(piperazin-1-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-3-pyridin-2-ylbenzamide
SMILESO=C(Nc1ccccc1-c1nc2cc(CN3CCNCC3)cnc2s1)c1cccc(-c2ccccn2)c1
InChIInChI=1S/C29H26N6OS/c36-27(22-7-5-6-21(17-22)24-9-3-4-11-31-24)33-25-10-2-1-8-23(25)28-34-26-16-20(18-32-29(26)37-28)19-35-14-12-30-13-15-35/h1-11,16-18,30H,12-15,19H2,(H,33,36)
InChIKeyYOHISHRITGWTBP-UHFFFAOYSA-N
XLogP5.08
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.64
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-ethyl-N-methyl-4-[quinolin-8-yl-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-ylidene]methyl]benzamide
CID 57397762
1-(4-benzoylpiperazin-1-yl)-2-[7-(4-methylthiazol-2-yl)-1H-pyrrolo[3,2-b]pyridin-3-yl]ethane-1,2-dione
CID 71517533
2-phenyl-6-piperazin-1-yl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide
CID 25265679
N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[2-(pyridin-2-ylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]benzamide
CID 49839934
[2-(2,6-Dimethylphenyl)sulfanyl-1-phenylpyrrolo[3,2-b]pyridin-3-yl]-piperazin-1-ylmethanone
CID 56675443
N-[[(2S,3R)-1-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-3-methylpiperidin-2-yl]methyl]quinoline-8-carboxamide
CID 70681619
N-[[1-(2-methyl-4-phenyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]methyl]quinoline-8-carboxamide
CID 70683740
N-[[(2S)-4,4-difluoro-1-(2-methyl-4-phenyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]methyl]quinoline-8-carboxamide
CID 70683743
N-[[(2S,3R)-3-methyl-1-(2-methyl-4-phenyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]methyl]quinoline-8-carboxamide
CID 70685887
N-[[(2S,3R)-3-methyl-1-(2-methyl-5-phenyl-1,3-thiazole-4-carbonyl)piperidin-2-yl]methyl]quinoline-8-carboxamide
CID 70690041
N-[[(2S,3S)-3-methyl-1-(2-methyl-5-phenyl-1,3-thiazole-4-carbonyl)piperidin-2-yl]methyl]quinoline-8-carboxamide
CID 70694255
7-amino-3-methyl-N-[2-(4-piperazin-1-ylphenyl)ethyl]thieno[2,3-b]pyrazine-6-carboxamide
CID 139578266

Frequently Asked Questions

What is the IUPAC name of N-[2-[6-(piperazin-1-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-3-pyridin-2-ylbenzamide?
The IUPAC name of N-[2-[6-(piperazin-1-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-3-pyridin-2-ylbenzamide (CID 25144870) is N-[2-[6-(piperazin-1-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-3-pyridin-2-ylbenzamide.
What is the SMILES notation for N-[2-[6-(piperazin-1-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-3-pyridin-2-ylbenzamide?
The canonical SMILES for N-[2-[6-(piperazin-1-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-3-pyridin-2-ylbenzamide is O=C(Nc1ccccc1-c1nc2cc(CN3CCNCC3)cnc2s1)c1cccc(-c2ccccn2)c1.
What is the InChIKey of N-[2-[6-(piperazin-1-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-3-pyridin-2-ylbenzamide?
The InChIKey is YOHISHRITGWTBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N6OS/c36-27(22-7-5-6-21(17-22)24-9-3-4-11-31-24)33-25-10-2-1-8-23(25)28-34-26-16-20(18-32-29(26)37-28)19-35-14-12-30-13-15-35/h1-11,16-18,30H,12-15,19H2,(H,33,36).
What are the key properties of N-[2-[6-(piperazin-1-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-3-pyridin-2-ylbenzamide?
N-[2-[6-(piperazin-1-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-3-pyridin-2-ylbenzamide has a molecular weight of 506.64 g/mol, XLogP of 5.08, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[6-(piperazin-1-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-3-pyridin-2-ylbenzamide is sourced from PubChem (CID 25144870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).