tert-butyl N-[2-[[4-(2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]carbamate

C20H24N4O4S — CID 154669134

IUPACtert-butyl N-[2-[[4-(2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]carbamate
SMILESCN1CCc2ccc(-c3csc(NC(=O)CNC(=O)OC(C)(C)C)n3)cc2C1=O
InChIInChI=1S/C20H24N4O4S/c1-20(2,3)28-19(27)21-10-16(25)23-18-22-15(11-29-18)13-6-5-12-7-8-24(4)17(26)14(12)9-13/h5-6,9,11H,7-8,10H2,1-4H3,(H,21,27)(H,22,23,25)
InChIKeyYCMRCSRMJIRPFU-UHFFFAOYSA-N
MW416.50 g/mol
LogP2.90
Rot. Bonds4

About tert-butyl N-[2-[[4-(2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]carbamate

tert-butyl N-[2-[[4-(2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]carbamate (PubChem CID 154669134) has the molecular formula C20H24N4O4S and a molecular weight of 416.50 g/mol. Its IUPAC name is tert-butyl N-[2-[[4-(2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[4-(2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]carbamate
PubChem CID154669134
Molecular FormulaC20H24N4O4S
Molecular Weight416.50 g/mol
Exact Mass416.15
IUPAC Nametert-butyl N-[2-[[4-(2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]carbamate
SMILESCN1CCc2ccc(-c3csc(NC(=O)CNC(=O)OC(C)(C)C)n3)cc2C1=O
InChIInChI=1S/C20H24N4O4S/c1-20(2,3)28-19(27)21-10-16(25)23-18-22-15(11-29-18)13-6-5-12-7-8-24(4)17(26)14(12)9-13/h5-6,9,11H,7-8,10H2,1-4H3,(H,21,27)(H,22,23,25)
InChIKeyYCMRCSRMJIRPFU-UHFFFAOYSA-N
XLogP2.90
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[2-[[4-(2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]carbamate with MolForge

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Related Compounds

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methyl N-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]carbamate
CID 47299409
tert-butyl N-[2-cyclobutylidene-2-[[4-[3-[(E)-2-pyridin-4-ylethenyl]phenyl]-1,3-thiazol-2-yl]amino]ethyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[4-(2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[[4-(2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]carbamate (CID 154669134) is tert-butyl N-[2-[[4-(2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[[4-(2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[[4-(2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]carbamate is CN1CCc2ccc(-c3csc(NC(=O)CNC(=O)OC(C)(C)C)n3)cc2C1=O.
What is the InChIKey of tert-butyl N-[2-[[4-(2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]carbamate?
The InChIKey is YCMRCSRMJIRPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4S/c1-20(2,3)28-19(27)21-10-16(25)23-18-22-15(11-29-18)13-6-5-12-7-8-24(4)17(26)14(12)9-13/h5-6,9,11H,7-8,10H2,1-4H3,(H,21,27)(H,22,23,25).
What are the key properties of tert-butyl N-[2-[[4-(2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]carbamate?
tert-butyl N-[2-[[4-(2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]carbamate has a molecular weight of 416.50 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[4-(2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]carbamate is sourced from PubChem (CID 154669134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).