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

C16H27N3O3S — CID 70987245

IUPACtert-butyl N-[2-[2-methylpropyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-2-oxoethyl]carbamate
SMILESCc1nc(CN(CC(C)C)C(=O)CNC(=O)OC(C)(C)C)cs1
InChIInChI=1S/C16H27N3O3S/c1-11(2)8-19(9-13-10-23-12(3)18-13)14(20)7-17-15(21)22-16(4,5)6/h10-11H,7-9H2,1-6H3,(H,17,21)
InChIKeyJADSLYSXEJSQSC-UHFFFAOYSA-N
MW341.48 g/mol
LogP2.96
Rot. Bonds6

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

tert-butyl N-[2-[2-methylpropyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-2-oxoethyl]carbamate (PubChem CID 70987245) has the molecular formula C16H27N3O3S and a molecular weight of 341.48 g/mol. Its IUPAC name is tert-butyl N-[2-[2-methylpropyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[2-methylpropyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-2-oxoethyl]carbamate
PubChem CID70987245
Molecular FormulaC16H27N3O3S
Molecular Weight341.48 g/mol
Exact Mass341.18
IUPAC Nametert-butyl N-[2-[2-methylpropyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-2-oxoethyl]carbamate
SMILESCc1nc(CN(CC(C)C)C(=O)CNC(=O)OC(C)(C)C)cs1
InChIInChI=1S/C16H27N3O3S/c1-11(2)8-19(9-13-10-23-12(3)18-13)14(20)7-17-15(21)22-16(4,5)6/h10-11H,7-9H2,1-6H3,(H,17,21)
InChIKeyJADSLYSXEJSQSC-UHFFFAOYSA-N
XLogP2.96
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]carbamate
CID 86653692
tert-butyl N-[(E)-4-[(2-methyl-1,3-thiazol-4-yl)methylamino]but-2-enyl]carbamate
CID 107252707
ethyl 2-[[2-methylpropyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]acetate
CID 10783432
tert-butyl N-[2-[bis(thiophen-2-ylmethyl)amino]-2-oxoethyl]carbamate
CID 67704750
2-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophen-2-yl]ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 58112072
tert-butyl N-[3-(2-methyl-1,3-thiazol-4-yl)-3-oxopropyl]carbamate
CID 165465018
tert-butyl 2-[[ethylamino-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methylidene]amino]acetate
CID 109425194
tert-butyl N-[(1S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-(2-methyl-1,3-thiazol-4-yl)ethyl]carbamate
CID 97184367
tert-butyl N-[4-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]butan-2-yl]carbamate
CID 103901675
tert-butyl N-[2-[[N,N'-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamimidoyl]amino]-1-phenylethyl]carbamate;hydroiodide
CID 109424981
tert-butyl N-[4-methyl-1-[methyl-[N'-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]carbamimidoyl]amino]pentan-3-yl]carbamate;hydroiodide
CID 109412106
tert-butyl N-[[2-[(2-methyl-1,3-thiazol-4-yl)methylamino]cyclopentyl]methyl]carbamate
CID 103695728

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[2-methylpropyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[2-methylpropyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-2-oxoethyl]carbamate (CID 70987245) is tert-butyl N-[2-[2-methylpropyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[2-methylpropyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[2-methylpropyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-2-oxoethyl]carbamate is Cc1nc(CN(CC(C)C)C(=O)CNC(=O)OC(C)(C)C)cs1.
What is the InChIKey of tert-butyl N-[2-[2-methylpropyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-2-oxoethyl]carbamate?
The InChIKey is JADSLYSXEJSQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3S/c1-11(2)8-19(9-13-10-23-12(3)18-13)14(20)7-17-15(21)22-16(4,5)6/h10-11H,7-9H2,1-6H3,(H,17,21).
What are the key properties of tert-butyl N-[2-[2-methylpropyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-2-oxoethyl]carbamate?
tert-butyl N-[2-[2-methylpropyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-2-oxoethyl]carbamate has a molecular weight of 341.48 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[2-methylpropyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-2-oxoethyl]carbamate is sourced from PubChem (CID 70987245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).