3-amino-N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrolidine-1-carboxamide

C18H19N5O2S — CID 137474866

IUPAC3-amino-N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrolidine-1-carboxamide
SMILESCOc1ncc(-c2ccccc2)c2sc(NC(=O)N3CCC(N)C3)nc12
InChIInChI=1S/C18H19N5O2S/c1-25-16-14-15(13(9-20-16)11-5-3-2-4-6-11)26-17(21-14)22-18(24)23-8-7-12(19)10-23/h2-6,9,12H,7-8,10,19H2,1H3,(H,21,22,24)
InChIKeyAOLZEGKCIWAIQJ-UHFFFAOYSA-N
MW369.45 g/mol
LogP2.93
Rot. Bonds3

About 3-amino-N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrolidine-1-carboxamide

3-amino-N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrolidine-1-carboxamide (PubChem CID 137474866) has the molecular formula C18H19N5O2S and a molecular weight of 369.45 g/mol. Its IUPAC name is 3-amino-N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrolidine-1-carboxamide
PubChem CID137474866
Molecular FormulaC18H19N5O2S
Molecular Weight369.45 g/mol
Exact Mass369.13
IUPAC Name3-amino-N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrolidine-1-carboxamide
SMILESCOc1ncc(-c2ccccc2)c2sc(NC(=O)N3CCC(N)C3)nc12
InChIInChI=1S/C18H19N5O2S/c1-25-16-14-15(13(9-20-16)11-5-3-2-4-6-11)26-17(21-14)22-18(24)23-8-7-12(19)10-23/h2-6,9,12H,7-8,10,19H2,1H3,(H,21,22,24)
InChIKeyAOLZEGKCIWAIQJ-UHFFFAOYSA-N
XLogP2.93
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(4S)-4-amino-N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-8-azaspiro[4.5]decane-8-carboxamide
CID 142524403
4-hydroxy-N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4-methylpiperidine-1-carboxamide
CID 142524362
N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide
CID 142524386
N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide
CID 159454171
2-[1-[[4-methoxy-7-(1-methylpyrazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]carbamoyl]piperidin-3-yl]acetic acid
CID 146624006
4-[(dimethylamino)methyl]-N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)benzamide
CID 137462623
N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-methyl-1,3-oxazole-4-carboxamide
CID 142524457
4-(2,5-dioxopyrrolidin-1-yl)-N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)benzamide
CID 137462534
1-N-[2-(dimethylamino)ethyl]-4-N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)cyclohexa-1,3-diene-1,4-dicarboxamide
CID 146653145
1-N-[7-(3,6-dihydro-2H-pyran-4-yl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]piperidine-1,4-dicarboxamide
CID 164738811
N-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)morpholine-4-carboxamide
CID 10155956
(3R)-3-amino-N-phenylpyrrolidine-1-carboxamide
CID 94340040

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrolidine-1-carboxamide?
The IUPAC name of 3-amino-N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrolidine-1-carboxamide (CID 137474866) is 3-amino-N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-amino-N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for 3-amino-N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrolidine-1-carboxamide is COc1ncc(-c2ccccc2)c2sc(NC(=O)N3CCC(N)C3)nc12.
What is the InChIKey of 3-amino-N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrolidine-1-carboxamide?
The InChIKey is AOLZEGKCIWAIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2S/c1-25-16-14-15(13(9-20-16)11-5-3-2-4-6-11)26-17(21-14)22-18(24)23-8-7-12(19)10-23/h2-6,9,12H,7-8,10,19H2,1H3,(H,21,22,24).
What are the key properties of 3-amino-N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrolidine-1-carboxamide?
3-amino-N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrolidine-1-carboxamide has a molecular weight of 369.45 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 137474866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).