tert-butyl (3R)-3-[[5-[(5-amino-3-methyl-1,2-thiazole-4-carbonyl)amino]-2-pyridinyl]oxy]pyrrolidine-1-carboxylate

C19H25N5O4S — CID 118284834

IUPACtert-butyl (3R)-3-[[5-[(5-amino-3-methyl-1,2-thiazole-4-carbonyl)amino]-2-pyridinyl]oxy]pyrrolidine-1-carboxylate
SMILESCc1nsc(N)c1C(=O)Nc1ccc(O[C@@H]2CCN(C(=O)OC(C)(C)C)C2)nc1
InChIInChI=1S/C19H25N5O4S/c1-11-15(16(20)29-23-11)17(25)22-12-5-6-14(21-9-12)27-13-7-8-24(10-13)18(26)28-19(2,3)4/h5-6,9,13H,7-8,10,20H2,1-4H3,(H,22,25)/t13-/m1/s1
InChIKeyCXRGWEDIRJNWLU-CYBMUJFWSA-N
MW419.51 g/mol
LogP3.07
Rot. Bonds4

About tert-butyl (3R)-3-[[5-[(5-amino-3-methyl-1,2-thiazole-4-carbonyl)amino]-2-pyridinyl]oxy]pyrrolidine-1-carboxylate

tert-butyl (3R)-3-[[5-[(5-amino-3-methyl-1,2-thiazole-4-carbonyl)amino]-2-pyridinyl]oxy]pyrrolidine-1-carboxylate (PubChem CID 118284834) has the molecular formula C19H25N5O4S and a molecular weight of 419.51 g/mol. Its IUPAC name is tert-butyl (3R)-3-[[5-[(5-amino-3-methyl-1,2-thiazole-4-carbonyl)amino]-2-pyridinyl]oxy]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-[[5-[(5-amino-3-methyl-1,2-thiazole-4-carbonyl)amino]-2-pyridinyl]oxy]pyrrolidine-1-carboxylate
PubChem CID118284834
Molecular FormulaC19H25N5O4S
Molecular Weight419.51 g/mol
Exact Mass419.16
IUPAC Nametert-butyl (3R)-3-[[5-[(5-amino-3-methyl-1,2-thiazole-4-carbonyl)amino]-2-pyridinyl]oxy]pyrrolidine-1-carboxylate
SMILESCc1nsc(N)c1C(=O)Nc1ccc(O[C@@H]2CCN(C(=O)OC(C)(C)C)C2)nc1
InChIInChI=1S/C19H25N5O4S/c1-11-15(16(20)29-23-11)17(25)22-12-5-6-14(21-9-12)27-13-7-8-24(10-13)18(26)28-19(2,3)4/h5-6,9,13H,7-8,10,20H2,1-4H3,(H,22,25)/t13-/m1/s1
InChIKeyCXRGWEDIRJNWLU-CYBMUJFWSA-N
XLogP3.07
TPSA119.67 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.51
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze tert-butyl (3R)-3-[[5-[(5-amino-3-methyl-1,2-thiazole-4-carbonyl)amino]-2-pyridinyl]oxy]pyrrolidine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 3-[(5-methyl-2-pyridinyl)oxy]pyrrolidine-1-carboxylate
CID 24902580
(3S)-3-[[5-[(5-amino-3-methyl-1,2-thiazole-4-carbonyl)amino]-2-pyridinyl]oxymethyl]pyrrolidine-1-carboxylic acid
CID 118278693
tert-butyl (3S)-3-[(5-methyl-2-pyridinyl)oxy]piperidine-1-carboxylate
CID 71634726
tert-butyl 4-[[5-[[3-methyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carbonyl]amino]-2-pyridinyl]oxymethyl]piperidine-1-carboxylate
CID 118278989
5-amino-N-[6-(4-methoxyphenoxy)-3-pyridinyl]-3-methyl-1,2-thiazole-4-carboxamide
CID 90317472
N-[6-[(3R)-1-(2,2-difluoroethyl)pyrrolidin-3-yl]oxy-3-pyridinyl]-3-methyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide
CID 118278788
tert-butyl (3S)-3-[(5-phenylmethoxy-2-pyridinyl)oxy]pyrrolidine-1-carboxylate
CID 134579999
5-[[5-(1,1-difluoroethyl)pyrazin-2-yl]amino]-3-methyl-N-[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]-1,2-thiazole-4-carboxamide
CID 123597922
tert-butyl (3S)-3-[(6-amino-4-methyl-2-pyridinyl)oxy]pyrrolidine-1-carboxylate
CID 170725757
tert-butyl 3-(6-chloropyridazin-3-yl)oxypyrrolidine-1-carboxylate
CID 71629716
tert-butyl 4-[2-fluoro-5-[[3-methyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-1,2-thiazole-4-carbonyl]amino]phenoxy]piperidine-1-carboxylate
CID 157478898
tert-butyl 4-[(5-ethyl-2-pyridinyl)oxy]piperidine-1-carboxylate
CID 134497281

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-[[5-[(5-amino-3-methyl-1,2-thiazole-4-carbonyl)amino]-2-pyridinyl]oxy]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-[[5-[(5-amino-3-methyl-1,2-thiazole-4-carbonyl)amino]-2-pyridinyl]oxy]pyrrolidine-1-carboxylate (CID 118284834) is tert-butyl (3R)-3-[[5-[(5-amino-3-methyl-1,2-thiazole-4-carbonyl)amino]-2-pyridinyl]oxy]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-[[5-[(5-amino-3-methyl-1,2-thiazole-4-carbonyl)amino]-2-pyridinyl]oxy]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-[[5-[(5-amino-3-methyl-1,2-thiazole-4-carbonyl)amino]-2-pyridinyl]oxy]pyrrolidine-1-carboxylate is Cc1nsc(N)c1C(=O)Nc1ccc(O[C@@H]2CCN(C(=O)OC(C)(C)C)C2)nc1.
What is the InChIKey of tert-butyl (3R)-3-[[5-[(5-amino-3-methyl-1,2-thiazole-4-carbonyl)amino]-2-pyridinyl]oxy]pyrrolidine-1-carboxylate?
The InChIKey is CXRGWEDIRJNWLU-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H25N5O4S/c1-11-15(16(20)29-23-11)17(25)22-12-5-6-14(21-9-12)27-13-7-8-24(10-13)18(26)28-19(2,3)4/h5-6,9,13H,7-8,10,20H2,1-4H3,(H,22,25)/t13-/m1/s1.
What are the key properties of tert-butyl (3R)-3-[[5-[(5-amino-3-methyl-1,2-thiazole-4-carbonyl)amino]-2-pyridinyl]oxy]pyrrolidine-1-carboxylate?
tert-butyl (3R)-3-[[5-[(5-amino-3-methyl-1,2-thiazole-4-carbonyl)amino]-2-pyridinyl]oxy]pyrrolidine-1-carboxylate has a molecular weight of 419.51 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-[[5-[(5-amino-3-methyl-1,2-thiazole-4-carbonyl)amino]-2-pyridinyl]oxy]pyrrolidine-1-carboxylate is sourced from PubChem (CID 118284834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).