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

C19H18N4O3S — CID 90530373

IUPAC5-methyl-N-[5-(2-phenylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2nc3c(s2)CN(C(=O)Cc2ccccc2)CC3)no1
InChIInChI=1S/C19H18N4O3S/c1-12-9-15(22-26-12)18(25)21-19-20-14-7-8-23(11-16(14)27-19)17(24)10-13-5-3-2-4-6-13/h2-6,9H,7-8,10-11H2,1H3,(H,20,21,25)
InChIKeyOBGMBJDJYWKHMJ-UHFFFAOYSA-N
MW382.45 g/mol
LogP2.82
Rot. Bonds4

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

5-methyl-N-[5-(2-phenylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1,2-oxazole-3-carboxamide (PubChem CID 90530373) has the molecular formula C19H18N4O3S and a molecular weight of 382.45 g/mol. Its IUPAC name is 5-methyl-N-[5-(2-phenylacetyl)-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-phenylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1,2-oxazole-3-carboxamide
PubChem CID90530373
Molecular FormulaC19H18N4O3S
Molecular Weight382.45 g/mol
Exact Mass382.11
IUPAC Name5-methyl-N-[5-(2-phenylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2nc3c(s2)CN(C(=O)Cc2ccccc2)CC3)no1
InChIInChI=1S/C19H18N4O3S/c1-12-9-15(22-26-12)18(25)21-19-20-14-7-8-23(11-16(14)27-19)17(24)10-13-5-3-2-4-6-13/h2-6,9H,7-8,10-11H2,1H3,(H,20,21,25)
InChIKeyOBGMBJDJYWKHMJ-UHFFFAOYSA-N
XLogP2.82
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.45
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
N-[5-[2-(benzimidazol-1-yl)acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 90530241
5-methyl-N-(5-pent-4-enoyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,2-oxazole-3-carboxamide
CID 90530266
N-[5-[2-(4-chlorophenoxy)acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 90530358
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
N-[5-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 90530245
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-(4-methylbenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1,2-oxazole-3-carboxamide
CID 90530303
N-[5-[2-(4-methoxyphenyl)acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide
CID 90528392
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
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
5-methyl-N-[5-(thiophen-2-ylmethylcarbamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1,2-oxazole-3-carboxamide
CID 90530617

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[5-(2-phenylacetyl)-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-phenylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1,2-oxazole-3-carboxamide (CID 90530373) is 5-methyl-N-[5-(2-phenylacetyl)-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-phenylacetyl)-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-phenylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)Nc2nc3c(s2)CN(C(=O)Cc2ccccc2)CC3)no1.
What is the InChIKey of 5-methyl-N-[5-(2-phenylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is OBGMBJDJYWKHMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3S/c1-12-9-15(22-26-12)18(25)21-19-20-14-7-8-23(11-16(14)27-19)17(24)10-13-5-3-2-4-6-13/h2-6,9H,7-8,10-11H2,1H3,(H,20,21,25).
What are the key properties of 5-methyl-N-[5-(2-phenylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1,2-oxazole-3-carboxamide?
5-methyl-N-[5-(2-phenylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 382.45 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 5-methyl-N-[5-(2-phenylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 90530373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).