methyl N-[5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate

C16H20N4O4S — CID 90528773

IUPACmethyl N-[5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
SMILESCOC(=O)Nc1nc2c(s1)CN(C(=O)CCc1c(C)noc1C)CC2
InChIInChI=1S/C16H20N4O4S/c1-9-11(10(2)24-19-9)4-5-14(21)20-7-6-12-13(8-20)25-15(17-12)18-16(22)23-3/h4-8H2,1-3H3,(H,17,18,22)
InChIKeyOAJQSDYLJJUOII-UHFFFAOYSA-N
MW364.43 g/mol
LogP2.44
Rot. Bonds4

About methyl N-[5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate

methyl N-[5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate (PubChem CID 90528773) has the molecular formula C16H20N4O4S and a molecular weight of 364.43 g/mol. Its IUPAC name is methyl N-[5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
PubChem CID90528773
Molecular FormulaC16H20N4O4S
Molecular Weight364.43 g/mol
Exact Mass364.12
IUPAC Namemethyl N-[5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
SMILESCOC(=O)Nc1nc2c(s1)CN(C(=O)CCc1c(C)noc1C)CC2
InChIInChI=1S/C16H20N4O4S/c1-9-11(10(2)24-19-9)4-5-14(21)20-7-6-12-13(8-20)25-15(17-12)18-16(22)23-3/h4-8H2,1-3H3,(H,17,18,22)
InChIKeyOAJQSDYLJJUOII-UHFFFAOYSA-N
XLogP2.44
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl N-[5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate with MolForge

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Related Compounds

methyl N-[5-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90528980
N-[5-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide
CID 90526139
methyl N-[5-[2-(4-methoxyphenoxy)acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90528879
methyl N-[5-[2-(4-fluorophenyl)sulfanylacetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90528945
methyl N-[5-(2-benzamidoacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90528743
methyl N-[5-[(E)-3-phenylprop-2-enoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90528867
ethyl 2-[2-(methoxycarbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetate
CID 90529105
methyl N-[5-(2-methylbenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90528814
N-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 90530823
methyl N-[5-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90528752
ethyl 4-[2-[2-(methoxycarbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetyl]piperazine-1-carboxylate
CID 90528996
methyl N-[5-[2-(4-methoxyphenyl)ethylcarbamoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90529146

Frequently Asked Questions

What is the IUPAC name of methyl N-[5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate?
The IUPAC name of methyl N-[5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate (CID 90528773) is methyl N-[5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate.
What is the SMILES notation for methyl N-[5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate?
The canonical SMILES for methyl N-[5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate is COC(=O)Nc1nc2c(s1)CN(C(=O)CCc1c(C)noc1C)CC2.
What is the InChIKey of methyl N-[5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate?
The InChIKey is OAJQSDYLJJUOII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O4S/c1-9-11(10(2)24-19-9)4-5-14(21)20-7-6-12-13(8-20)25-15(17-12)18-16(22)23-3/h4-8H2,1-3H3,(H,17,18,22).
What are the key properties of methyl N-[5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate?
methyl N-[5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate has a molecular weight of 364.43 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate is sourced from PubChem (CID 90528773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).