tert-butyl N-(5-bromo-4-methyl-1,3-thiazol-2-yl)-N-[2-(dimethylamino)ethyl]carbamate

C13H22BrN3O2S — CID 167193034

IUPACtert-butyl N-(5-bromo-4-methyl-1,3-thiazol-2-yl)-N-[2-(dimethylamino)ethyl]carbamate
SMILESCc1nc(N(CCN(C)C)C(=O)OC(C)(C)C)sc1Br
InChIInChI=1S/C13H22BrN3O2S/c1-9-10(14)20-11(15-9)17(8-7-16(5)6)12(18)19-13(2,3)4/h7-8H2,1-6H3
InChIKeyAWRQPQNDLSMBAP-UHFFFAOYSA-N
MW364.31 g/mol
LogP3.52
Rot. Bonds4

About tert-butyl N-(5-bromo-4-methyl-1,3-thiazol-2-yl)-N-[2-(dimethylamino)ethyl]carbamate

tert-butyl N-(5-bromo-4-methyl-1,3-thiazol-2-yl)-N-[2-(dimethylamino)ethyl]carbamate (PubChem CID 167193034) has the molecular formula C13H22BrN3O2S and a molecular weight of 364.31 g/mol. Its IUPAC name is tert-butyl N-(5-bromo-4-methyl-1,3-thiazol-2-yl)-N-[2-(dimethylamino)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-(5-bromo-4-methyl-1,3-thiazol-2-yl)-N-[2-(dimethylamino)ethyl]carbamate
PubChem CID167193034
Molecular FormulaC13H22BrN3O2S
Molecular Weight364.31 g/mol
Exact Mass363.06
IUPAC Nametert-butyl N-(5-bromo-4-methyl-1,3-thiazol-2-yl)-N-[2-(dimethylamino)ethyl]carbamate
SMILESCc1nc(N(CCN(C)C)C(=O)OC(C)(C)C)sc1Br
InChIInChI=1S/C13H22BrN3O2S/c1-9-10(14)20-11(15-9)17(8-7-16(5)6)12(18)19-13(2,3)4/h7-8H2,1-6H3
InChIKeyAWRQPQNDLSMBAP-UHFFFAOYSA-N
XLogP3.52
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.31
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Tert-butyl 4-(5-bromo-4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxylate
CID 165950252
tert-butyl N-[5-bromo-4-(trifluoromethyl)-1,3-thiazol-2-yl]-N-cyclopentylcarbamate
CID 167193454
tert-Butyl (5-bromo-4-(trifluoromethyl)thiazol-2-yl)(methyl)carbamate
CID 168445284
tert-Butyl (5-bromo-4-methylthiazol-2-yl)carbamate
CID 45117836
N,N-bis(tert-butyloxycarbonyl)-5-bromo-4-methylthiazol-2-ylamine
CID 59375152
tert-butyl N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)carbamate
CID 69150108
Methyl-(4-methyl-5-tributylstannanylthiazol-2-yl)carbamic acid tert-butyl ester
CID 90176956
tert-butyl N-(5-bromo-4-prop-1-ynyl-1,3-thiazol-2-yl)-N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate
CID 91463623
tert-butyl N-methyl-N-[2-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]ethyl]carbamate
CID 141414336
tert-butyl N-(4-methyl-5-methylbromanuidyl-1,3-thiazol-2-yl)carbamate
CID 163970965
tert-butyl N-(5-bromo-4-methyl-1,3-thiazol-2-yl)-N-methylcarbamate
CID 166661288
tert-butyl N-(5-bromo-4-methyl-1,3-thiazol-2-yl)-N-cyclopentylcarbamate
CID 167193467

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(5-bromo-4-methyl-1,3-thiazol-2-yl)-N-[2-(dimethylamino)ethyl]carbamate?
The IUPAC name of tert-butyl N-(5-bromo-4-methyl-1,3-thiazol-2-yl)-N-[2-(dimethylamino)ethyl]carbamate (CID 167193034) is tert-butyl N-(5-bromo-4-methyl-1,3-thiazol-2-yl)-N-[2-(dimethylamino)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-(5-bromo-4-methyl-1,3-thiazol-2-yl)-N-[2-(dimethylamino)ethyl]carbamate?
The canonical SMILES for tert-butyl N-(5-bromo-4-methyl-1,3-thiazol-2-yl)-N-[2-(dimethylamino)ethyl]carbamate is Cc1nc(N(CCN(C)C)C(=O)OC(C)(C)C)sc1Br.
What is the InChIKey of tert-butyl N-(5-bromo-4-methyl-1,3-thiazol-2-yl)-N-[2-(dimethylamino)ethyl]carbamate?
The InChIKey is AWRQPQNDLSMBAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22BrN3O2S/c1-9-10(14)20-11(15-9)17(8-7-16(5)6)12(18)19-13(2,3)4/h7-8H2,1-6H3.
What are the key properties of tert-butyl N-(5-bromo-4-methyl-1,3-thiazol-2-yl)-N-[2-(dimethylamino)ethyl]carbamate?
tert-butyl N-(5-bromo-4-methyl-1,3-thiazol-2-yl)-N-[2-(dimethylamino)ethyl]carbamate has a molecular weight of 364.31 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(5-bromo-4-methyl-1,3-thiazol-2-yl)-N-[2-(dimethylamino)ethyl]carbamate is sourced from PubChem (CID 167193034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).