(5-bromo-1,3-thiazol-2-yl)-dicyclopropylmethanol

C10H12BrNOS — CID 67429273

IUPAC(5-bromo-1,3-thiazol-2-yl)-dicyclopropylmethanol
SMILESOC(c1ncc(Br)s1)(C1CC1)C1CC1
InChIInChI=1S/C10H12BrNOS/c11-8-5-12-9(14-8)10(13,6-1-2-6)7-3-4-7/h5-7,13H,1-4H2
InChIKeyCCIGUBBMUCGYEJ-UHFFFAOYSA-N
MW274.18 g/mol
LogP2.91
Rot. Bonds3

About (5-bromo-1,3-thiazol-2-yl)-dicyclopropylmethanol

(5-bromo-1,3-thiazol-2-yl)-dicyclopropylmethanol (PubChem CID 67429273) has the molecular formula C10H12BrNOS and a molecular weight of 274.18 g/mol. Its IUPAC name is (5-bromo-1,3-thiazol-2-yl)-dicyclopropylmethanol.

Molecular Properties

Compound Name(5-bromo-1,3-thiazol-2-yl)-dicyclopropylmethanol
PubChem CID67429273
Molecular FormulaC10H12BrNOS
Molecular Weight274.18 g/mol
Exact Mass272.98
IUPAC Name(5-bromo-1,3-thiazol-2-yl)-dicyclopropylmethanol
SMILESOC(c1ncc(Br)s1)(C1CC1)C1CC1
InChIInChI=1S/C10H12BrNOS/c11-8-5-12-9(14-8)10(13,6-1-2-6)7-3-4-7/h5-7,13H,1-4H2
InChIKeyCCIGUBBMUCGYEJ-UHFFFAOYSA-N
XLogP2.91
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.18
LogP ≤ 52.91
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)-dicyclopropylmethanol?
The IUPAC name of (5-bromo-1,3-thiazol-2-yl)-dicyclopropylmethanol (CID 67429273) is (5-bromo-1,3-thiazol-2-yl)-dicyclopropylmethanol.
What is the SMILES notation for (5-bromo-1,3-thiazol-2-yl)-dicyclopropylmethanol?
The canonical SMILES for (5-bromo-1,3-thiazol-2-yl)-dicyclopropylmethanol is OC(c1ncc(Br)s1)(C1CC1)C1CC1.
What is the InChIKey of (5-bromo-1,3-thiazol-2-yl)-dicyclopropylmethanol?
The InChIKey is CCIGUBBMUCGYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNOS/c11-8-5-12-9(14-8)10(13,6-1-2-6)7-3-4-7/h5-7,13H,1-4H2.
What are the key properties of (5-bromo-1,3-thiazol-2-yl)-dicyclopropylmethanol?
(5-bromo-1,3-thiazol-2-yl)-dicyclopropylmethanol has a molecular weight of 274.18 g/mol, XLogP of 2.91, 3 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)-dicyclopropylmethanol is sourced from PubChem (CID 67429273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).