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

C7H8BrNOS — CID 142609313

IUPAC(2-bromo-4-cyclopropyl-1,3-thiazol-5-yl)methanol
SMILESOCc1sc(Br)nc1C1CC1
InChIInChI=1S/C7H8BrNOS/c8-7-9-6(4-1-2-4)5(3-10)11-7/h4,10H,1-3H2
InChIKeyYVLYARIFRYJEMC-UHFFFAOYSA-N
MW234.12 g/mol
LogP2.28
Rot. Bonds2

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

(2-bromo-4-cyclopropyl-1,3-thiazol-5-yl)methanol (PubChem CID 142609313) has the molecular formula C7H8BrNOS and a molecular weight of 234.12 g/mol. Its IUPAC name is (2-bromo-4-cyclopropyl-1,3-thiazol-5-yl)methanol.

Molecular Properties

Compound Name(2-bromo-4-cyclopropyl-1,3-thiazol-5-yl)methanol
PubChem CID142609313
Molecular FormulaC7H8BrNOS
Molecular Weight234.12 g/mol
Exact Mass232.95
IUPAC Name(2-bromo-4-cyclopropyl-1,3-thiazol-5-yl)methanol
SMILESOCc1sc(Br)nc1C1CC1
InChIInChI=1S/C7H8BrNOS/c8-7-9-6(4-1-2-4)5(3-10)11-7/h4,10H,1-3H2
InChIKeyYVLYARIFRYJEMC-UHFFFAOYSA-N
XLogP2.28
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.12
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-tert-butyl-4-cyclopropyl-1,3-thiazol-5-yl)methanol
CID 82436959
[2-[(4-chlorophenyl)methyl]-4-cyclopropyl-1,3-thiazol-5-yl]methanol
CID 82436119
[4-cyclopropyl-2-(morpholin-4-ylmethyl)-1,3-thiazol-5-yl]methanol
CID 82437678
[4-cyclopropyl-2-[methyl(3-methylbutyl)amino]-1,3-thiazol-5-yl]methanol
CID 63917237
[4-cyclopropyl-2-[methyl(4-methylpentan-2-yl)amino]-1,3-thiazol-5-yl]methanol
CID 63915868
[2-[cyclohexyl(ethyl)amino]-4-cyclopropyl-1,3-thiazol-5-yl]methanol
CID 63916638
[4-cyclopropyl-2-[2-(dimethylamino)ethyl-propylamino]-1,3-thiazol-5-yl]methanol
CID 63917040
[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-cyclopropyl-1,3-thiazol-5-yl]methanol
CID 79920135
[4-cyclopropyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methanol
CID 82437638
[4-cyclopropyl-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-1,3-thiazol-5-yl]methanol
CID 63915678
[4-cyclopropyl-2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1,3-thiazol-5-yl]methanol
CID 63918393
[4-cyclopropyl-2-(3-ethylmorpholin-4-yl)-1,3-thiazol-5-yl]methanol
CID 63916252

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-cyclopropyl-1,3-thiazol-5-yl)methanol?
The IUPAC name of (2-bromo-4-cyclopropyl-1,3-thiazol-5-yl)methanol (CID 142609313) is (2-bromo-4-cyclopropyl-1,3-thiazol-5-yl)methanol.
What is the SMILES notation for (2-bromo-4-cyclopropyl-1,3-thiazol-5-yl)methanol?
The canonical SMILES for (2-bromo-4-cyclopropyl-1,3-thiazol-5-yl)methanol is OCc1sc(Br)nc1C1CC1.
What is the InChIKey of (2-bromo-4-cyclopropyl-1,3-thiazol-5-yl)methanol?
The InChIKey is YVLYARIFRYJEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrNOS/c8-7-9-6(4-1-2-4)5(3-10)11-7/h4,10H,1-3H2.
What are the key properties of (2-bromo-4-cyclopropyl-1,3-thiazol-5-yl)methanol?
(2-bromo-4-cyclopropyl-1,3-thiazol-5-yl)methanol has a molecular weight of 234.12 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-cyclopropyl-1,3-thiazol-5-yl)methanol is sourced from PubChem (CID 142609313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).