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

C14H18N4O5S2 — CID 71788120

IUPACethyl N-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
SMILESCCOC(=O)Nc1nc2c(s1)CN(S(=O)(=O)c1c(C)noc1C)CC2
InChIInChI=1S/C14H18N4O5S2/c1-4-22-14(19)16-13-15-10-5-6-18(7-11(10)24-13)25(20,21)12-8(2)17-23-9(12)3/h4-7H2,1-3H3,(H,15,16,19)
InChIKeyQGSOGFNSSWXNIV-UHFFFAOYSA-N
MW386.46 g/mol
LogP2.06
Rot. Bonds4

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

ethyl N-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate (PubChem CID 71788120) has the molecular formula C14H18N4O5S2 and a molecular weight of 386.46 g/mol. Its IUPAC name is ethyl N-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
PubChem CID71788120
Molecular FormulaC14H18N4O5S2
Molecular Weight386.46 g/mol
Exact Mass386.07
IUPAC Nameethyl N-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
SMILESCCOC(=O)Nc1nc2c(s1)CN(S(=O)(=O)c1c(C)noc1C)CC2
InChIInChI=1S/C14H18N4O5S2/c1-4-22-14(19)16-13-15-10-5-6-18(7-11(10)24-13)25(20,21)12-8(2)17-23-9(12)3/h4-7H2,1-3H3,(H,15,16,19)
InChIKeyQGSOGFNSSWXNIV-UHFFFAOYSA-N
XLogP2.06
TPSA114.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate?
The IUPAC name of ethyl N-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate (CID 71788120) is ethyl N-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate.
What is the SMILES notation for ethyl N-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate?
The canonical SMILES for ethyl N-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate is CCOC(=O)Nc1nc2c(s1)CN(S(=O)(=O)c1c(C)noc1C)CC2.
What is the InChIKey of ethyl N-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate?
The InChIKey is QGSOGFNSSWXNIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O5S2/c1-4-22-14(19)16-13-15-10-5-6-18(7-11(10)24-13)25(20,21)12-8(2)17-23-9(12)3/h4-7H2,1-3H3,(H,15,16,19).
What are the key properties of ethyl N-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate?
ethyl N-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate has a molecular weight of 386.46 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate is sourced from PubChem (CID 71788120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).