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

C14H21BrN2O4S — CID 59375152

IUPACtert-butyl N-(5-bromo-4-methyl-1,3-thiazol-2-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
SMILESCc1nc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)sc1Br
InChIInChI=1S/C14H21BrN2O4S/c1-8-9(15)22-10(16-8)17(11(18)20-13(2,3)4)12(19)21-14(5,6)7/h1-7H3
InChIKeyBYKKLRTXTSSLKE-UHFFFAOYSA-N
MW393.30 g/mol
LogP4.89
Rot. Bonds1

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

tert-butyl N-(5-bromo-4-methyl-1,3-thiazol-2-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate (PubChem CID 59375152) has the molecular formula C14H21BrN2O4S and a molecular weight of 393.30 g/mol. Its IUPAC name is tert-butyl N-(5-bromo-4-methyl-1,3-thiazol-2-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-(5-bromo-4-methyl-1,3-thiazol-2-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
PubChem CID59375152
Molecular FormulaC14H21BrN2O4S
Molecular Weight393.30 g/mol
Exact Mass392.04
IUPAC Nametert-butyl N-(5-bromo-4-methyl-1,3-thiazol-2-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
SMILESCc1nc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)sc1Br
InChIInChI=1S/C14H21BrN2O4S/c1-8-9(15)22-10(16-8)17(11(18)20-13(2,3)4)12(19)21-14(5,6)7/h1-7H3
InChIKeyBYKKLRTXTSSLKE-UHFFFAOYSA-N
XLogP4.89
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.30
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-(5-bromo-4-methyl-1,3-thiazol-2-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate with MolForge

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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 (5-bromo-4-(trifluoromethyl)thiazol-2-yl)carbamate
CID 167193060
tert-Butyl (5-bromo-4-(trifluoromethyl)thiazol-2-yl)(methyl)carbamate
CID 168445284
tert-Butyl (5-bromo-4-methylthiazol-2-yl)carbamate
CID 45117836
Tert-butyl (5-bromo-4-cyanothiazol-2-YL)carbamate
CID 45117848
butyl N-(5-bromo-4-methyl-1,3-thiazol-2-yl)carbamate
CID 87573082
Methyl-(4-methyl-5-tributylstannanylthiazol-2-yl)carbamic acid tert-butyl ester
CID 90176956
tert-Butyl (tert-butoxycarbonyl)(5-iodo-4-methylthiazol-2-yl)carbamate
CID 163292177
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-[2-(dimethylamino)ethyl]carbamate
CID 167193034
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-methylpropan-2-yl)oxycarbonyl]carbamate?
The IUPAC name of tert-butyl N-(5-bromo-4-methyl-1,3-thiazol-2-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate (CID 59375152) is tert-butyl N-(5-bromo-4-methyl-1,3-thiazol-2-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate.
What is the SMILES notation for tert-butyl N-(5-bromo-4-methyl-1,3-thiazol-2-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The canonical SMILES for tert-butyl N-(5-bromo-4-methyl-1,3-thiazol-2-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate is Cc1nc(N(C(=O)OC(C)(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-methylpropan-2-yl)oxycarbonyl]carbamate?
The InChIKey is BYKKLRTXTSSLKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O4S/c1-8-9(15)22-10(16-8)17(11(18)20-13(2,3)4)12(19)21-14(5,6)7/h1-7H3.
What are the key properties of tert-butyl N-(5-bromo-4-methyl-1,3-thiazol-2-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
tert-butyl N-(5-bromo-4-methyl-1,3-thiazol-2-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate has a molecular weight of 393.30 g/mol, XLogP of 4.89, 1 rotatable bonds, 0 hydrogen bond donors, and 6 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-methylpropan-2-yl)oxycarbonyl]carbamate is sourced from PubChem (CID 59375152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).