tert-butyl N-[2-[[5-(dimethylamino)-1,3-benzothiazol-2-yl]amino]-2-oxoethyl]carbamate

C16H22N4O3S — CID 164906992

IUPACtert-butyl N-[2-[[5-(dimethylamino)-1,3-benzothiazol-2-yl]amino]-2-oxoethyl]carbamate
SMILESCN(C)c1ccc2sc(NC(=O)CNC(=O)OC(C)(C)C)nc2c1
InChIInChI=1S/C16H22N4O3S/c1-16(2,3)23-15(22)17-9-13(21)19-14-18-11-8-10(20(4)5)6-7-12(11)24-14/h6-8H,9H2,1-5H3,(H,17,22)(H,18,19,21)
InChIKeyGGLKYXUFUOEBKJ-UHFFFAOYSA-N
MW350.44 g/mol
LogP2.83
Rot. Bonds4

About tert-butyl N-[2-[[5-(dimethylamino)-1,3-benzothiazol-2-yl]amino]-2-oxoethyl]carbamate

tert-butyl N-[2-[[5-(dimethylamino)-1,3-benzothiazol-2-yl]amino]-2-oxoethyl]carbamate (PubChem CID 164906992) has the molecular formula C16H22N4O3S and a molecular weight of 350.44 g/mol. Its IUPAC name is tert-butyl N-[2-[[5-(dimethylamino)-1,3-benzothiazol-2-yl]amino]-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[5-(dimethylamino)-1,3-benzothiazol-2-yl]amino]-2-oxoethyl]carbamate
PubChem CID164906992
Molecular FormulaC16H22N4O3S
Molecular Weight350.44 g/mol
Exact Mass350.14
IUPAC Nametert-butyl N-[2-[[5-(dimethylamino)-1,3-benzothiazol-2-yl]amino]-2-oxoethyl]carbamate
SMILESCN(C)c1ccc2sc(NC(=O)CNC(=O)OC(C)(C)C)nc2c1
InChIInChI=1S/C16H22N4O3S/c1-16(2,3)23-15(22)17-9-13(21)19-14-18-11-8-10(20(4)5)6-7-12(11)24-14/h6-8H,9H2,1-5H3,(H,17,22)(H,18,19,21)
InChIKeyGGLKYXUFUOEBKJ-UHFFFAOYSA-N
XLogP2.83
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[2-[[5-(dimethylamino)-1,3-benzothiazol-2-yl]amino]-2-oxoethyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[2-oxo-2-([1,3]thiazolo[4,5-c]pyridin-2-ylamino)ethyl]carbamate
CID 15593546
tert-butyl N-(5-cyano-1,3-benzothiazol-2-yl)carbamate
CID 137332820
tert-butyl N-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]carbamate
CID 139371491
tert-butyl N-[2-[(6-imidazo[1,2-a]pyrimidin-3-ylsulfanyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]carbamate
CID 131740223
N-[2-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylamino)-2-oxoethyl]-2,2-dimethylpropanamide
CID 43019026
methyl N-[2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]carbamate
CID 47299822
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
2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-benzothiazole-6-carboxylic acid
CID 2756763
tert-butyl N-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]carbamate
CID 113001690
tert-butyl N-[(5-bromo-1,3-benzothiazol-2-yl)methyl]carbamate
CID 135336645
tert-butyl N-[2-[[5-(dimethylaminosulfanyl)-2-methylthiophen-3-yl]amino]-2-oxoethyl]carbamate
CID 171625364

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[5-(dimethylamino)-1,3-benzothiazol-2-yl]amino]-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[[5-(dimethylamino)-1,3-benzothiazol-2-yl]amino]-2-oxoethyl]carbamate (CID 164906992) is tert-butyl N-[2-[[5-(dimethylamino)-1,3-benzothiazol-2-yl]amino]-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[[5-(dimethylamino)-1,3-benzothiazol-2-yl]amino]-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[[5-(dimethylamino)-1,3-benzothiazol-2-yl]amino]-2-oxoethyl]carbamate is CN(C)c1ccc2sc(NC(=O)CNC(=O)OC(C)(C)C)nc2c1.
What is the InChIKey of tert-butyl N-[2-[[5-(dimethylamino)-1,3-benzothiazol-2-yl]amino]-2-oxoethyl]carbamate?
The InChIKey is GGLKYXUFUOEBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3S/c1-16(2,3)23-15(22)17-9-13(21)19-14-18-11-8-10(20(4)5)6-7-12(11)24-14/h6-8H,9H2,1-5H3,(H,17,22)(H,18,19,21).
What are the key properties of tert-butyl N-[2-[[5-(dimethylamino)-1,3-benzothiazol-2-yl]amino]-2-oxoethyl]carbamate?
tert-butyl N-[2-[[5-(dimethylamino)-1,3-benzothiazol-2-yl]amino]-2-oxoethyl]carbamate has a molecular weight of 350.44 g/mol, XLogP of 2.83, 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-[[5-(dimethylamino)-1,3-benzothiazol-2-yl]amino]-2-oxoethyl]carbamate is sourced from PubChem (CID 164906992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).