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

C15H18N4O4S — CID 90528980

IUPACmethyl 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
SMILESCOC(=O)Nc1nc2c(s1)CN(C(=O)Cc1c(C)noc1C)CC2
InChIInChI=1S/C15H18N4O4S/c1-8-10(9(2)23-18-8)6-13(20)19-5-4-11-12(7-19)24-14(16-11)17-15(21)22-3/h4-7H2,1-3H3,(H,16,17,21)
InChIKeyUCRKCPGWDINBKB-UHFFFAOYSA-N
MW350.40 g/mol
LogP2.05
Rot. Bonds3

About 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

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 (PubChem CID 90528980) has the molecular formula C15H18N4O4S and a molecular weight of 350.40 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namemethyl 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
PubChem CID90528980
Molecular FormulaC15H18N4O4S
Molecular Weight350.40 g/mol
Exact Mass350.10
IUPAC Namemethyl 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
SMILESCOC(=O)Nc1nc2c(s1)CN(C(=O)Cc1c(C)noc1C)CC2
InChIInChI=1S/C15H18N4O4S/c1-8-10(9(2)23-18-8)6-13(20)19-5-4-11-12(7-19)24-14(16-11)17-15(21)22-3/h4-7H2,1-3H3,(H,16,17,21)
InChIKeyUCRKCPGWDINBKB-UHFFFAOYSA-N
XLogP2.05
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

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
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
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-(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
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
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
1-(4-cyclopropylidenepiperidin-1-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 121184167

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COC(=O)Nc1nc2c(s1)CN(C(=O)Cc1c(C)noc1C)CC2.
What is the InChIKey of 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?
The InChIKey is UCRKCPGWDINBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O4S/c1-8-10(9(2)23-18-8)6-13(20)19-5-4-11-12(7-19)24-14(16-11)17-15(21)22-3/h4-7H2,1-3H3,(H,16,17,21).
What are the key properties of 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?
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 has a molecular weight of 350.40 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 90528980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).