(2S)-2-(3-aminopyrrolidin-1-yl)-3-(5-cyclopropyl-2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-2H-1,3-oxazole-4-carboxamide

C21H27N7O3S — CID 155384776

IUPAC(2S)-2-(3-aminopyrrolidin-1-yl)-3-(5-cyclopropyl-2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-2H-1,3-oxazole-4-carboxamide
SMILESNC(=O)C1=CO[C@@H](N2CCC(N)C2)N1c1cc2sc(N3CCOCC3)nc2nc1C1CC1
InChIInChI=1S/C21H27N7O3S/c22-13-3-4-27(10-13)21-28(15(11-31-21)18(23)29)14-9-16-19(24-17(14)12-1-2-12)25-20(32-16)26-5-7-30-8-6-26/h9,11-13,21H,1-8,10,22H2,(H2,23,29)/t13?,21-/m0/s1
InChIKeyUAGJPHGSPQCJFP-KCSFHACMSA-N
MW457.56 g/mol
LogP0.89
Rot. Bonds5

About (2S)-2-(3-aminopyrrolidin-1-yl)-3-(5-cyclopropyl-2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-2H-1,3-oxazole-4-carboxamide

(2S)-2-(3-aminopyrrolidin-1-yl)-3-(5-cyclopropyl-2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-2H-1,3-oxazole-4-carboxamide (PubChem CID 155384776) has the molecular formula C21H27N7O3S and a molecular weight of 457.56 g/mol. Its IUPAC name is (2S)-2-(3-aminopyrrolidin-1-yl)-3-(5-cyclopropyl-2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-2H-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name(2S)-2-(3-aminopyrrolidin-1-yl)-3-(5-cyclopropyl-2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-2H-1,3-oxazole-4-carboxamide
PubChem CID155384776
Molecular FormulaC21H27N7O3S
Molecular Weight457.56 g/mol
Exact Mass457.19
IUPAC Name(2S)-2-(3-aminopyrrolidin-1-yl)-3-(5-cyclopropyl-2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-2H-1,3-oxazole-4-carboxamide
SMILESNC(=O)C1=CO[C@@H](N2CCC(N)C2)N1c1cc2sc(N3CCOCC3)nc2nc1C1CC1
InChIInChI=1S/C21H27N7O3S/c22-13-3-4-27(10-13)21-28(15(11-31-21)18(23)29)14-9-16-19(24-17(14)12-1-2-12)25-20(32-16)26-5-7-30-8-6-26/h9,11-13,21H,1-8,10,22H2,(H2,23,29)/t13?,21-/m0/s1
InChIKeyUAGJPHGSPQCJFP-KCSFHACMSA-N
XLogP0.89
TPSA123.07 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.56
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze (2S)-2-(3-aminopyrrolidin-1-yl)-3-(5-cyclopropyl-2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-2H-1,3-oxazole-4-carboxamide with MolForge

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Related Compounds

2-(2-methyl-3-pyridinyl)-3-(2-morpholin-4-yl-5-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-2H-1,3-oxazole-4-carboxamide
CID 135334393
2-(2-methoxy-4-pyridinyl)-3-(2-morpholin-4-yl-5-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-2H-1,3-oxazole-4-carboxamide
CID 135334309
3-[5-(1-methylpyrazol-4-yl)-2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-2H-1,3-oxazole-4-carboxamide
CID 135334343
3-[5-(6-fluoro-3-pyridinyl)-2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-2H-1,3-oxazole-4-carboxamide
CID 135334404
4-[5-[(3S)-3-fluoropiperidin-1-yl]-6-nitro-[1,3]thiazolo[4,5-b]pyridin-2-yl]morpholine
CID 122699834
N-(5-cyclopropyl-2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-2-(3-methylpyrrolidin-1-yl)-1,3-oxazole-4-carboxamide
CID 123683281
2-(4-cyclopropyl-2-morpholin-4-yl-1,3-thiazol-5-yl)propan-2-ol
CID 82438106
2-(5-cyclopropyl-2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-1-[2-[1-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-1,3-oxazol-4-yl]ethanone;sulfane
CID 158372340
3-[2-(3-hydroxypiperidin-1-yl)-5-(4-hydroxypiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-2H-1,3-oxazole-4-carboxamide
CID 155384773
3-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-2H-1,3-oxazole-4-carboxamide
CID 135334323
3-(4-cyclopropyl-2-morpholin-4-yl-1,3-thiazol-5-yl)propanoic acid
CID 82438113
2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-6-amine
CID 118224190

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-aminopyrrolidin-1-yl)-3-(5-cyclopropyl-2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-2H-1,3-oxazole-4-carboxamide?
The IUPAC name of (2S)-2-(3-aminopyrrolidin-1-yl)-3-(5-cyclopropyl-2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-2H-1,3-oxazole-4-carboxamide (CID 155384776) is (2S)-2-(3-aminopyrrolidin-1-yl)-3-(5-cyclopropyl-2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-2H-1,3-oxazole-4-carboxamide.
What is the SMILES notation for (2S)-2-(3-aminopyrrolidin-1-yl)-3-(5-cyclopropyl-2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-2H-1,3-oxazole-4-carboxamide?
The canonical SMILES for (2S)-2-(3-aminopyrrolidin-1-yl)-3-(5-cyclopropyl-2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-2H-1,3-oxazole-4-carboxamide is NC(=O)C1=CO[C@@H](N2CCC(N)C2)N1c1cc2sc(N3CCOCC3)nc2nc1C1CC1.
What is the InChIKey of (2S)-2-(3-aminopyrrolidin-1-yl)-3-(5-cyclopropyl-2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-2H-1,3-oxazole-4-carboxamide?
The InChIKey is UAGJPHGSPQCJFP-KCSFHACMSA-N. The full InChI is InChI=1S/C21H27N7O3S/c22-13-3-4-27(10-13)21-28(15(11-31-21)18(23)29)14-9-16-19(24-17(14)12-1-2-12)25-20(32-16)26-5-7-30-8-6-26/h9,11-13,21H,1-8,10,22H2,(H2,23,29)/t13?,21-/m0/s1.
What are the key properties of (2S)-2-(3-aminopyrrolidin-1-yl)-3-(5-cyclopropyl-2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-2H-1,3-oxazole-4-carboxamide?
(2S)-2-(3-aminopyrrolidin-1-yl)-3-(5-cyclopropyl-2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-2H-1,3-oxazole-4-carboxamide has a molecular weight of 457.56 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-aminopyrrolidin-1-yl)-3-(5-cyclopropyl-2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-2H-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 155384776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).