2-[(2S)-2-cyanopyrrolidin-1-yl]-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)cyclohexyl]acetamide

C19H23N5OS — CID 141050136

IUPAC2-[(2S)-2-cyanopyrrolidin-1-yl]-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)cyclohexyl]acetamide
SMILESN#C[C@@H]1CCCN1CC(=O)NC1CCC(c2nc3cccnc3s2)CC1
InChIInChI=1S/C19H23N5OS/c20-11-15-3-2-10-24(15)12-17(25)22-14-7-5-13(6-8-14)18-23-16-4-1-9-21-19(16)26-18/h1,4,9,13-15H,2-3,5-8,10,12H2,(H,22,25)/t13?,14?,15-/m0/s1
InChIKeyCXZWACNBPPNRHT-NRXISQOPSA-N
MW369.49 g/mol
LogP2.82
Rot. Bonds4

About 2-[(2S)-2-cyanopyrrolidin-1-yl]-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)cyclohexyl]acetamide

2-[(2S)-2-cyanopyrrolidin-1-yl]-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)cyclohexyl]acetamide (PubChem CID 141050136) has the molecular formula C19H23N5OS and a molecular weight of 369.49 g/mol. Its IUPAC name is 2-[(2S)-2-cyanopyrrolidin-1-yl]-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)cyclohexyl]acetamide.

Molecular Properties

Compound Name2-[(2S)-2-cyanopyrrolidin-1-yl]-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)cyclohexyl]acetamide
PubChem CID141050136
Molecular FormulaC19H23N5OS
Molecular Weight369.49 g/mol
Exact Mass369.16
IUPAC Name2-[(2S)-2-cyanopyrrolidin-1-yl]-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)cyclohexyl]acetamide
SMILESN#C[C@@H]1CCCN1CC(=O)NC1CCC(c2nc3cccnc3s2)CC1
InChIInChI=1S/C19H23N5OS/c20-11-15-3-2-10-24(15)12-17(25)22-14-7-5-13(6-8-14)18-23-16-4-1-9-21-19(16)26-18/h1,4,9,13-15H,2-3,5-8,10,12H2,(H,22,25)/t13?,14?,15-/m0/s1
InChIKeyCXZWACNBPPNRHT-NRXISQOPSA-N
XLogP2.82
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2S)-2-cyanopyrrolidin-1-yl]-N-[4-(morpholine-4-carbonyl)cyclohexyl]acetamide
CID 141050479
4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]acetyl]amino]-N,N-dimethylcyclohexane-1-carboxamide
CID 141440293
2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 11932295
2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 51545268
2-([1,3]thiazolo[5,4-b]pyridin-2-yl)cyclopentane-1-carboxylic acid
CID 103979407
2-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 11936952
2-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 11936958
1-(1,3-benzothiazol-2-ylmethyl)pyrrolidine-2-carbonitrile
CID 104631037
2-[[2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]acetyl]amino]-N-cyclopentylbenzamide
CID 41228935
2-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-N-(4-cyanophenyl)acetamide
CID 9033786
2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 9389557
2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)acetamide
CID 4824992

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-cyanopyrrolidin-1-yl]-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)cyclohexyl]acetamide?
The IUPAC name of 2-[(2S)-2-cyanopyrrolidin-1-yl]-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)cyclohexyl]acetamide (CID 141050136) is 2-[(2S)-2-cyanopyrrolidin-1-yl]-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)cyclohexyl]acetamide.
What is the SMILES notation for 2-[(2S)-2-cyanopyrrolidin-1-yl]-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)cyclohexyl]acetamide?
The canonical SMILES for 2-[(2S)-2-cyanopyrrolidin-1-yl]-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)cyclohexyl]acetamide is N#C[C@@H]1CCCN1CC(=O)NC1CCC(c2nc3cccnc3s2)CC1.
What is the InChIKey of 2-[(2S)-2-cyanopyrrolidin-1-yl]-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)cyclohexyl]acetamide?
The InChIKey is CXZWACNBPPNRHT-NRXISQOPSA-N. The full InChI is InChI=1S/C19H23N5OS/c20-11-15-3-2-10-24(15)12-17(25)22-14-7-5-13(6-8-14)18-23-16-4-1-9-21-19(16)26-18/h1,4,9,13-15H,2-3,5-8,10,12H2,(H,22,25)/t13?,14?,15-/m0/s1.
What are the key properties of 2-[(2S)-2-cyanopyrrolidin-1-yl]-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)cyclohexyl]acetamide?
2-[(2S)-2-cyanopyrrolidin-1-yl]-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)cyclohexyl]acetamide has a molecular weight of 369.49 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-cyanopyrrolidin-1-yl]-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)cyclohexyl]acetamide is sourced from PubChem (CID 141050136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).