(5-bromo-4-cyclopropyl-1,3-thiazol-2-yl)carbamic acid

C7H7BrN2O2S — CID 87758831

IUPAC(5-bromo-4-cyclopropyl-1,3-thiazol-2-yl)carbamic acid
SMILESO=C(O)Nc1nc(C2CC2)c(Br)s1
InChIInChI=1S/C7H7BrN2O2S/c8-5-4(3-1-2-3)9-6(13-5)10-7(11)12/h3H,1-2H2,(H,9,10)(H,11,12)
InChIKeyFCVPQFSSITZJFD-UHFFFAOYSA-N
MW263.12 g/mol
LogP2.87
Rot. Bonds2

About (5-bromo-4-cyclopropyl-1,3-thiazol-2-yl)carbamic acid

(5-bromo-4-cyclopropyl-1,3-thiazol-2-yl)carbamic acid (PubChem CID 87758831) has the molecular formula C7H7BrN2O2S and a molecular weight of 263.12 g/mol. Its IUPAC name is (5-bromo-4-cyclopropyl-1,3-thiazol-2-yl)carbamic acid.

Molecular Properties

Compound Name(5-bromo-4-cyclopropyl-1,3-thiazol-2-yl)carbamic acid
PubChem CID87758831
Molecular FormulaC7H7BrN2O2S
Molecular Weight263.12 g/mol
Exact Mass261.94
IUPAC Name(5-bromo-4-cyclopropyl-1,3-thiazol-2-yl)carbamic acid
SMILESO=C(O)Nc1nc(C2CC2)c(Br)s1
InChIInChI=1S/C7H7BrN2O2S/c8-5-4(3-1-2-3)9-6(13-5)10-7(11)12/h3H,1-2H2,(H,9,10)(H,11,12)
InChIKeyFCVPQFSSITZJFD-UHFFFAOYSA-N
XLogP2.87
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.12
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Tert-butyl (5-bromo-4-cyclopropylthiazol-2-YL)carbamate
CID 45117858
2-Amino-5-bromo-4-cyclopropylthiazole
CID 53393779
(4-Cyclopropyl-1,3-thiazol-2-yl)carbamic acid
CID 87757618
N-(5-Bromo-4-cyclopropylthiazol-2-yl)acetamide
CID 129962926

Frequently Asked Questions

What is the IUPAC name of (5-bromo-4-cyclopropyl-1,3-thiazol-2-yl)carbamic acid?
The IUPAC name of (5-bromo-4-cyclopropyl-1,3-thiazol-2-yl)carbamic acid (CID 87758831) is (5-bromo-4-cyclopropyl-1,3-thiazol-2-yl)carbamic acid.
What is the SMILES notation for (5-bromo-4-cyclopropyl-1,3-thiazol-2-yl)carbamic acid?
The canonical SMILES for (5-bromo-4-cyclopropyl-1,3-thiazol-2-yl)carbamic acid is O=C(O)Nc1nc(C2CC2)c(Br)s1.
What is the InChIKey of (5-bromo-4-cyclopropyl-1,3-thiazol-2-yl)carbamic acid?
The InChIKey is FCVPQFSSITZJFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrN2O2S/c8-5-4(3-1-2-3)9-6(13-5)10-7(11)12/h3H,1-2H2,(H,9,10)(H,11,12).
What are the key properties of (5-bromo-4-cyclopropyl-1,3-thiazol-2-yl)carbamic acid?
(5-bromo-4-cyclopropyl-1,3-thiazol-2-yl)carbamic acid has a molecular weight of 263.12 g/mol, XLogP of 2.87, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-4-cyclopropyl-1,3-thiazol-2-yl)carbamic acid is sourced from PubChem (CID 87758831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).