(5-bromo-1,3-thiazol-2-yl)-(2,3,3-trimethylbutan-2-yl)carbamic acid

C11H17BrN2O2S — CID 118024006

IUPAC(5-bromo-1,3-thiazol-2-yl)-(2,3,3-trimethylbutan-2-yl)carbamic acid
SMILESCC(C)(C)C(C)(C)N(C(=O)O)c1ncc(Br)s1
InChIInChI=1S/C11H17BrN2O2S/c1-10(2,3)11(4,5)14(9(15)16)8-13-6-7(12)17-8/h6H,1-5H3,(H,15,16)
InChIKeySYKHLEZLEHLKTF-UHFFFAOYSA-N
MW321.24 g/mol
LogP4.21
Rot. Bonds2

About (5-bromo-1,3-thiazol-2-yl)-(2,3,3-trimethylbutan-2-yl)carbamic acid

(5-bromo-1,3-thiazol-2-yl)-(2,3,3-trimethylbutan-2-yl)carbamic acid (PubChem CID 118024006) has the molecular formula C11H17BrN2O2S and a molecular weight of 321.24 g/mol. Its IUPAC name is (5-bromo-1,3-thiazol-2-yl)-(2,3,3-trimethylbutan-2-yl)carbamic acid.

Molecular Properties

Compound Name(5-bromo-1,3-thiazol-2-yl)-(2,3,3-trimethylbutan-2-yl)carbamic acid
PubChem CID118024006
Molecular FormulaC11H17BrN2O2S
Molecular Weight321.24 g/mol
Exact Mass320.02
IUPAC Name(5-bromo-1,3-thiazol-2-yl)-(2,3,3-trimethylbutan-2-yl)carbamic acid
SMILESCC(C)(C)C(C)(C)N(C(=O)O)c1ncc(Br)s1
InChIInChI=1S/C11H17BrN2O2S/c1-10(2,3)11(4,5)14(9(15)16)8-13-6-7(12)17-8/h6H,1-5H3,(H,15,16)
InChIKeySYKHLEZLEHLKTF-UHFFFAOYSA-N
XLogP4.21
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.24
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-1,3-thiazol-2-yl)-(2,3,3-trimethylbutan-2-yl)carbamic acid?
The IUPAC name of (5-bromo-1,3-thiazol-2-yl)-(2,3,3-trimethylbutan-2-yl)carbamic acid (CID 118024006) is (5-bromo-1,3-thiazol-2-yl)-(2,3,3-trimethylbutan-2-yl)carbamic acid.
What is the SMILES notation for (5-bromo-1,3-thiazol-2-yl)-(2,3,3-trimethylbutan-2-yl)carbamic acid?
The canonical SMILES for (5-bromo-1,3-thiazol-2-yl)-(2,3,3-trimethylbutan-2-yl)carbamic acid is CC(C)(C)C(C)(C)N(C(=O)O)c1ncc(Br)s1.
What is the InChIKey of (5-bromo-1,3-thiazol-2-yl)-(2,3,3-trimethylbutan-2-yl)carbamic acid?
The InChIKey is SYKHLEZLEHLKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O2S/c1-10(2,3)11(4,5)14(9(15)16)8-13-6-7(12)17-8/h6H,1-5H3,(H,15,16).
What are the key properties of (5-bromo-1,3-thiazol-2-yl)-(2,3,3-trimethylbutan-2-yl)carbamic acid?
(5-bromo-1,3-thiazol-2-yl)-(2,3,3-trimethylbutan-2-yl)carbamic acid has a molecular weight of 321.24 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-1,3-thiazol-2-yl)-(2,3,3-trimethylbutan-2-yl)carbamic acid is sourced from PubChem (CID 118024006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).