tert-butyl N-[2-oxo-2-([1,3]thiazolo[4,5-c]pyridin-2-ylamino)ethyl]carbamate

C13H16N4O3S — CID 15593546

IUPACtert-butyl N-[2-oxo-2-([1,3]thiazolo[4,5-c]pyridin-2-ylamino)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)Nc1nc2cnccc2s1
InChIInChI=1S/C13H16N4O3S/c1-13(2,3)20-12(19)15-7-10(18)17-11-16-8-6-14-5-4-9(8)21-11/h4-6H,7H2,1-3H3,(H,15,19)(H,16,17,18)
InChIKeyAZDKZCBIUXMFHR-UHFFFAOYSA-N
MW308.36 g/mol
LogP2.15
Rot. Bonds3

About tert-butyl N-[2-oxo-2-([1,3]thiazolo[4,5-c]pyridin-2-ylamino)ethyl]carbamate

tert-butyl N-[2-oxo-2-([1,3]thiazolo[4,5-c]pyridin-2-ylamino)ethyl]carbamate (PubChem CID 15593546) has the molecular formula C13H16N4O3S and a molecular weight of 308.36 g/mol. Its IUPAC name is tert-butyl N-[2-oxo-2-([1,3]thiazolo[4,5-c]pyridin-2-ylamino)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-oxo-2-([1,3]thiazolo[4,5-c]pyridin-2-ylamino)ethyl]carbamate
PubChem CID15593546
Molecular FormulaC13H16N4O3S
Molecular Weight308.36 g/mol
Exact Mass308.09
IUPAC Nametert-butyl N-[2-oxo-2-([1,3]thiazolo[4,5-c]pyridin-2-ylamino)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)Nc1nc2cnccc2s1
InChIInChI=1S/C13H16N4O3S/c1-13(2,3)20-12(19)15-7-10(18)17-11-16-8-6-14-5-4-9(8)21-11/h4-6H,7H2,1-3H3,(H,15,19)(H,16,17,18)
InChIKeyAZDKZCBIUXMFHR-UHFFFAOYSA-N
XLogP2.15
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-[2-[[5-(dimethylamino)-1,3-benzothiazol-2-yl]amino]-2-oxoethyl]carbamate
CID 164906992
tert-butyl N-[2-[(6-imidazo[1,2-a]pyrimidin-3-ylsulfanyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]carbamate
CID 131740223
tert-butyl [1,3]thiazolo[4,5-c]pyridine-2-carboxylate
CID 133059343
tert-butyl N-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]carbamate
CID 139371491
tert-butyl N-[2-(4-methyl-3-pyridinyl)-2-oxoethyl]carbamate
CID 165468430
N-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]propanamide
CID 47412721
N-(1,3-benzothiazol-2-yl)-2-(tert-butylamino)acetamide
CID 47840976
ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-[1,3]thiazolo[4,5-c]pyridine-6-carboxylate
CID 170948135
tert-butyl N-[6-[(3-bromo-4-pyridinyl)carbamoyl]-1,3-benzothiazol-2-yl]carbamate
CID 57412036
tert-butyl N-[2-[[4-(3-bromophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]carbamate
CID 139370768
methyl N-[2-[(6-butyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]carbamate
CID 60529886
tert-butyl N-[2-[(7-methyl-1,8-naphthyridin-2-yl)amino]-2-oxoethyl]carbamate
CID 101036428

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-oxo-2-([1,3]thiazolo[4,5-c]pyridin-2-ylamino)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-oxo-2-([1,3]thiazolo[4,5-c]pyridin-2-ylamino)ethyl]carbamate (CID 15593546) is tert-butyl N-[2-oxo-2-([1,3]thiazolo[4,5-c]pyridin-2-ylamino)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-oxo-2-([1,3]thiazolo[4,5-c]pyridin-2-ylamino)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-oxo-2-([1,3]thiazolo[4,5-c]pyridin-2-ylamino)ethyl]carbamate is CC(C)(C)OC(=O)NCC(=O)Nc1nc2cnccc2s1.
What is the InChIKey of tert-butyl N-[2-oxo-2-([1,3]thiazolo[4,5-c]pyridin-2-ylamino)ethyl]carbamate?
The InChIKey is AZDKZCBIUXMFHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3S/c1-13(2,3)20-12(19)15-7-10(18)17-11-16-8-6-14-5-4-9(8)21-11/h4-6H,7H2,1-3H3,(H,15,19)(H,16,17,18).
What are the key properties of tert-butyl N-[2-oxo-2-([1,3]thiazolo[4,5-c]pyridin-2-ylamino)ethyl]carbamate?
tert-butyl N-[2-oxo-2-([1,3]thiazolo[4,5-c]pyridin-2-ylamino)ethyl]carbamate has a molecular weight of 308.36 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-oxo-2-([1,3]thiazolo[4,5-c]pyridin-2-ylamino)ethyl]carbamate is sourced from PubChem (CID 15593546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).