tert-butyl N-(5-bromo-4-cyclopropyl-1,3-thiazol-2-yl)carbamate

C11H15BrN2O2S — CID 45117858

IUPACtert-butyl N-(5-bromo-4-cyclopropyl-1,3-thiazol-2-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1nc(C2CC2)c(Br)s1
InChIInChI=1S/C11H15BrN2O2S/c1-11(2,3)16-10(15)14-9-13-7(6-4-5-6)8(12)17-9/h6H,4-5H2,1-3H3,(H,13,14,15)
InChIKeyUKNSSFITHPKALI-UHFFFAOYSA-N
MW319.22 g/mol
LogP4.13
Rot. Bonds2

About tert-butyl N-(5-bromo-4-cyclopropyl-1,3-thiazol-2-yl)carbamate

tert-butyl N-(5-bromo-4-cyclopropyl-1,3-thiazol-2-yl)carbamate (PubChem CID 45117858) has the molecular formula C11H15BrN2O2S and a molecular weight of 319.22 g/mol. Its IUPAC name is tert-butyl N-(5-bromo-4-cyclopropyl-1,3-thiazol-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(5-bromo-4-cyclopropyl-1,3-thiazol-2-yl)carbamate
PubChem CID45117858
Molecular FormulaC11H15BrN2O2S
Molecular Weight319.22 g/mol
Exact Mass318.00
IUPAC Nametert-butyl N-(5-bromo-4-cyclopropyl-1,3-thiazol-2-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1nc(C2CC2)c(Br)s1
InChIInChI=1S/C11H15BrN2O2S/c1-11(2,3)16-10(15)14-9-13-7(6-4-5-6)8(12)17-9/h6H,4-5H2,1-3H3,(H,13,14,15)
InChIKeyUKNSSFITHPKALI-UHFFFAOYSA-N
XLogP4.13
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.22
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-Butyl (5-bromo-4-methylthiazol-2-yl)carbamate
CID 45117836
Tert-butyl 4-cyclopropylthiazol-2-ylcarbamate
CID 57634179
(5-Bromo-4-cyclopropyl-1,3-thiazol-2-yl)carbamic acid
CID 87758831
N-(5-Bromo-4-cyclopropylthiazol-2-yl)acetamide
CID 129962926
tert-butyl N-(4-methyl-5-methylbromanuidyl-1,3-thiazol-2-yl)carbamate
CID 163970965
ethyl N-(4-cyclopropyl-1,3-thiazol-2-yl)carbamate
CID 60745271
propan-2-yl N-(4-cyclopropyl-1,3-thiazol-2-yl)carbamate
CID 116654745
tert-butyl N-(5-chloro-4-cyclopropyl-1,3-thiazol-2-yl)carbamate
CID 139270696
tert-butyl N-[5-bromo-4-(bromomethyl)-1,3-thiazol-2-yl]carbamate
CID 139291441

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(5-bromo-4-cyclopropyl-1,3-thiazol-2-yl)carbamate?
The IUPAC name of tert-butyl N-(5-bromo-4-cyclopropyl-1,3-thiazol-2-yl)carbamate (CID 45117858) is tert-butyl N-(5-bromo-4-cyclopropyl-1,3-thiazol-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(5-bromo-4-cyclopropyl-1,3-thiazol-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(5-bromo-4-cyclopropyl-1,3-thiazol-2-yl)carbamate is CC(C)(C)OC(=O)Nc1nc(C2CC2)c(Br)s1.
What is the InChIKey of tert-butyl N-(5-bromo-4-cyclopropyl-1,3-thiazol-2-yl)carbamate?
The InChIKey is UKNSSFITHPKALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2S/c1-11(2,3)16-10(15)14-9-13-7(6-4-5-6)8(12)17-9/h6H,4-5H2,1-3H3,(H,13,14,15).
What are the key properties of tert-butyl N-(5-bromo-4-cyclopropyl-1,3-thiazol-2-yl)carbamate?
tert-butyl N-(5-bromo-4-cyclopropyl-1,3-thiazol-2-yl)carbamate has a molecular weight of 319.22 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(5-bromo-4-cyclopropyl-1,3-thiazol-2-yl)carbamate is sourced from PubChem (CID 45117858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).