(3S)-N-[2-(4-methylpiperazin-1-yl)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide

C19H28N6OS — CID 92765070

IUPAC(3S)-N-[2-(4-methylpiperazin-1-yl)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide
SMILESCN1CCN(CCNC(=O)[C@H]2CCCN(c3nc4cccnc4s3)C2)CC1
InChIInChI=1S/C19H28N6OS/c1-23-10-12-24(13-11-23)9-7-20-17(26)15-4-3-8-25(14-15)19-22-16-5-2-6-21-18(16)27-19/h2,5-6,15H,3-4,7-14H2,1H3,(H,20,26)/t15-/m0/s1
InChIKeyRZIXJZDVFIASSM-HNNXBMFYSA-N
MW388.54 g/mol
LogP1.27
Rot. Bonds5

About (3S)-N-[2-(4-methylpiperazin-1-yl)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide

(3S)-N-[2-(4-methylpiperazin-1-yl)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide (PubChem CID 92765070) has the molecular formula C19H28N6OS and a molecular weight of 388.54 g/mol. Its IUPAC name is (3S)-N-[2-(4-methylpiperazin-1-yl)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[2-(4-methylpiperazin-1-yl)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide
PubChem CID92765070
Molecular FormulaC19H28N6OS
Molecular Weight388.54 g/mol
Exact Mass388.20
IUPAC Name(3S)-N-[2-(4-methylpiperazin-1-yl)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide
SMILESCN1CCN(CCNC(=O)[C@H]2CCCN(c3nc4cccnc4s3)C2)CC1
InChIInChI=1S/C19H28N6OS/c1-23-10-12-24(13-11-23)9-7-20-17(26)15-4-3-8-25(14-15)19-22-16-5-2-6-21-18(16)27-19/h2,5-6,15H,3-4,7-14H2,1H3,(H,20,26)/t15-/m0/s1
InChIKeyRZIXJZDVFIASSM-HNNXBMFYSA-N
XLogP1.27
TPSA64.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.54
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(3S)-N-[2-(diethylamino)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide
CID 92708784
N-[2-(diethylamino)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide
CID 20952150
N-[2-(2-methylphenyl)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide
CID 20952200
(3R)-N-[(4-methoxyphenyl)methyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide
CID 95117289
N-[(5-methylfuran-2-yl)methyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide
CID 53034430
N-(2-morpholin-4-ylethyl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide
CID 20952050
(3R)-N-[2-(2,4-dimethoxyphenyl)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide
CID 95117345
N-[(3-fluorophenyl)methyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide
CID 53210372
(3R)-N-(4-bromophenyl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide
CID 93068920
N-(2,3-dimethylphenyl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide
CID 50793221
(3S)-N-(2,3-dimethylphenyl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide
CID 92891762
N-[2-(2-methylpiperidin-1-yl)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide
CID 20952073

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[2-(4-methylpiperazin-1-yl)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-[2-(4-methylpiperazin-1-yl)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide (CID 92765070) is (3S)-N-[2-(4-methylpiperazin-1-yl)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[2-(4-methylpiperazin-1-yl)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[2-(4-methylpiperazin-1-yl)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide is CN1CCN(CCNC(=O)[C@H]2CCCN(c3nc4cccnc4s3)C2)CC1.
What is the InChIKey of (3S)-N-[2-(4-methylpiperazin-1-yl)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide?
The InChIKey is RZIXJZDVFIASSM-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H28N6OS/c1-23-10-12-24(13-11-23)9-7-20-17(26)15-4-3-8-25(14-15)19-22-16-5-2-6-21-18(16)27-19/h2,5-6,15H,3-4,7-14H2,1H3,(H,20,26)/t15-/m0/s1.
What are the key properties of (3S)-N-[2-(4-methylpiperazin-1-yl)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide?
(3S)-N-[2-(4-methylpiperazin-1-yl)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide has a molecular weight of 388.54 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[2-(4-methylpiperazin-1-yl)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 92765070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).