5-methyl-N-[5-[2-(3-methylanilino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1,2-oxazole-3-carboxamide

C20H21N5O3S — CID 90530476

IUPAC5-methyl-N-[5-[2-(3-methylanilino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1,2-oxazole-3-carboxamide
SMILESCc1cccc(NC(=O)CN2CCc3nc(NC(=O)c4cc(C)on4)sc3C2)c1
InChIInChI=1S/C20H21N5O3S/c1-12-4-3-5-14(8-12)21-18(26)11-25-7-6-15-17(10-25)29-20(22-15)23-19(27)16-9-13(2)28-24-16/h3-5,8-9H,6-7,10-11H2,1-2H3,(H,21,26)(H,22,23,27)
InChIKeyVYNIGQTZIOGIAL-UHFFFAOYSA-N
MW411.49 g/mol
LogP3.00
Rot. Bonds5

About 5-methyl-N-[5-[2-(3-methylanilino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1,2-oxazole-3-carboxamide

5-methyl-N-[5-[2-(3-methylanilino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1,2-oxazole-3-carboxamide (PubChem CID 90530476) has the molecular formula C20H21N5O3S and a molecular weight of 411.49 g/mol. Its IUPAC name is 5-methyl-N-[5-[2-(3-methylanilino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[5-[2-(3-methylanilino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1,2-oxazole-3-carboxamide
PubChem CID90530476
Molecular FormulaC20H21N5O3S
Molecular Weight411.49 g/mol
Exact Mass411.14
IUPAC Name5-methyl-N-[5-[2-(3-methylanilino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1,2-oxazole-3-carboxamide
SMILESCc1cccc(NC(=O)CN2CCc3nc(NC(=O)c4cc(C)on4)sc3C2)c1
InChIInChI=1S/C20H21N5O3S/c1-12-4-3-5-14(8-12)21-18(26)11-25-7-6-15-17(10-25)29-20(22-15)23-19(27)16-9-13(2)28-24-16/h3-5,8-9H,6-7,10-11H2,1-2H3,(H,21,26)(H,22,23,27)
InChIKeyVYNIGQTZIOGIAL-UHFFFAOYSA-N
XLogP3.00
TPSA100.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.49
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-methyl-N-[5-[2-(3-methylanilino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1,2-oxazole-3-carboxamide with MolForge

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Related Compounds

5-methyl-N-[5-[2-oxo-2-(2-phenylethylamino)ethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1,2-oxazole-3-carboxamide
CID 90530527
N-[5-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 90530524
ethyl 2-[2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetate
CID 90530579
benzyl 2-[2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetate
CID 90530580
ethyl N-[5-[2-(3-chloroanilino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90528031
5-methyl-N-[5-(4-methylbenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1,2-oxazole-3-carboxamide
CID 90530303
5-methyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,2-oxazole-3-carboxamide;hydrochloride
CID 16848015
5-methyl-N-[5-(5-methyl-1,2-oxazole-3-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1,2-oxazole-3-carboxamide
CID 90530430
5-methyl-N-[5-(2-phenylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1,2-oxazole-3-carboxamide
CID 90530373
N-[5-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide
CID 90528530
N-[5-(5-bromofuran-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 90530395
N-[5-(ethylcarbamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 90530630

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[5-[2-(3-methylanilino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-methyl-N-[5-[2-(3-methylanilino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1,2-oxazole-3-carboxamide (CID 90530476) is 5-methyl-N-[5-[2-(3-methylanilino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[5-[2-(3-methylanilino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-[5-[2-(3-methylanilino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1,2-oxazole-3-carboxamide is Cc1cccc(NC(=O)CN2CCc3nc(NC(=O)c4cc(C)on4)sc3C2)c1.
What is the InChIKey of 5-methyl-N-[5-[2-(3-methylanilino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is VYNIGQTZIOGIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3S/c1-12-4-3-5-14(8-12)21-18(26)11-25-7-6-15-17(10-25)29-20(22-15)23-19(27)16-9-13(2)28-24-16/h3-5,8-9H,6-7,10-11H2,1-2H3,(H,21,26)(H,22,23,27).
What are the key properties of 5-methyl-N-[5-[2-(3-methylanilino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1,2-oxazole-3-carboxamide?
5-methyl-N-[5-[2-(3-methylanilino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 411.49 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[5-[2-(3-methylanilino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 90530476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).