methyl N-(5-bromo-4-methyl-1,3-thiazol-2-yl)carbamate

C6H7BrN2O2S — CID 176895633

IUPACmethyl N-(5-bromo-4-methyl-1,3-thiazol-2-yl)carbamate
SMILESCOC(=O)Nc1nc(C)c(Br)s1
InChIInChI=1S/C6H7BrN2O2S/c1-3-4(7)12-5(8-3)9-6(10)11-2/h1-2H3,(H,8,9,10)
InChIKeyIKYVAODQZSQCJJ-UHFFFAOYSA-N
MW251.10 g/mol
LogP2.39
Rot. Bonds1

About methyl N-(5-bromo-4-methyl-1,3-thiazol-2-yl)carbamate

methyl N-(5-bromo-4-methyl-1,3-thiazol-2-yl)carbamate (PubChem CID 176895633) has the molecular formula C6H7BrN2O2S and a molecular weight of 251.10 g/mol. Its IUPAC name is methyl N-(5-bromo-4-methyl-1,3-thiazol-2-yl)carbamate.

Molecular Properties

Compound Namemethyl N-(5-bromo-4-methyl-1,3-thiazol-2-yl)carbamate
PubChem CID176895633
Molecular FormulaC6H7BrN2O2S
Molecular Weight251.10 g/mol
Exact Mass249.94
IUPAC Namemethyl N-(5-bromo-4-methyl-1,3-thiazol-2-yl)carbamate
SMILESCOC(=O)Nc1nc(C)c(Br)s1
InChIInChI=1S/C6H7BrN2O2S/c1-3-4(7)12-5(8-3)9-6(10)11-2/h1-2H3,(H,8,9,10)
InChIKeyIKYVAODQZSQCJJ-UHFFFAOYSA-N
XLogP2.39
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.10
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-bromo-4-methyl-1,3-thiazol-2-yl)acetamide
CID 822437
N-(5-bromo-4-methyl-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide
CID 12954382
(5-Fluoro-4-methyl-1,3-thiazol-2-yl)carbamic acid
CID 118109021
tert-Butyl (5-bromo-4-(trifluoromethyl)thiazol-2-yl)carbamate
CID 167193060
methyl N-(4-methyl-1,3-thiazol-2-yl)carbamate
CID 4345486
tert-Butyl (5-bromo-4-methylthiazol-2-yl)carbamate
CID 45117836
Tert-butyl (5-bromo-4-cyanothiazol-2-YL)carbamate
CID 45117848
[5-Bromo-4-(methoxymethyl)-1,3-thiazol-2-yl]carbamic acid
CID 87286128
butyl N-(5-bromo-4-methyl-1,3-thiazol-2-yl)carbamate
CID 87573082
(5-Bromo-4-cyano-1,3-thiazol-2-yl)carbamic acid
CID 87648695
(5-Bromo-4-methyl-1,3-thiazol-2-yl)carbamic acid
CID 118109143
[5-(Bromomethyl)-4-methyl-1,3-thiazol-2-yl]carbamic acid
CID 154342295

Frequently Asked Questions

What is the IUPAC name of methyl N-(5-bromo-4-methyl-1,3-thiazol-2-yl)carbamate?
The IUPAC name of methyl N-(5-bromo-4-methyl-1,3-thiazol-2-yl)carbamate (CID 176895633) is methyl N-(5-bromo-4-methyl-1,3-thiazol-2-yl)carbamate.
What is the SMILES notation for methyl N-(5-bromo-4-methyl-1,3-thiazol-2-yl)carbamate?
The canonical SMILES for methyl N-(5-bromo-4-methyl-1,3-thiazol-2-yl)carbamate is COC(=O)Nc1nc(C)c(Br)s1.
What is the InChIKey of methyl N-(5-bromo-4-methyl-1,3-thiazol-2-yl)carbamate?
The InChIKey is IKYVAODQZSQCJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrN2O2S/c1-3-4(7)12-5(8-3)9-6(10)11-2/h1-2H3,(H,8,9,10).
What are the key properties of methyl N-(5-bromo-4-methyl-1,3-thiazol-2-yl)carbamate?
methyl N-(5-bromo-4-methyl-1,3-thiazol-2-yl)carbamate has a molecular weight of 251.10 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(5-bromo-4-methyl-1,3-thiazol-2-yl)carbamate is sourced from PubChem (CID 176895633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).