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

C5H6BrNOS — CID 58127549

IUPAC(2-bromo-5-methyl-1,3-thiazol-4-yl)methanol
SMILESCc1sc(Br)nc1CO
InChIInChI=1S/C5H6BrNOS/c1-3-4(2-8)7-5(6)9-3/h8H,2H2,1H3
InChIKeyMQMFHTSXMPGVBI-UHFFFAOYSA-N
MW208.08 g/mol
LogP1.71
Rot. Bonds1

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

(2-bromo-5-methyl-1,3-thiazol-4-yl)methanol (PubChem CID 58127549) has the molecular formula C5H6BrNOS and a molecular weight of 208.08 g/mol. Its IUPAC name is (2-bromo-5-methyl-1,3-thiazol-4-yl)methanol.

Molecular Properties

Compound Name(2-bromo-5-methyl-1,3-thiazol-4-yl)methanol
PubChem CID58127549
Molecular FormulaC5H6BrNOS
Molecular Weight208.08 g/mol
Exact Mass206.94
IUPAC Name(2-bromo-5-methyl-1,3-thiazol-4-yl)methanol
SMILESCc1sc(Br)nc1CO
InChIInChI=1S/C5H6BrNOS/c1-3-4(2-8)7-5(6)9-3/h8H,2H2,1H3
InChIKeyMQMFHTSXMPGVBI-UHFFFAOYSA-N
XLogP1.71
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.08
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(Dimethyl-1,3-thiazol-5-yl)methanol
CID 2776250
2,5-Dimethyl-4-thiazolemethanol
CID 22285679
(5-Methyl-1,3-thiazol-4-yl)methanol
CID 23389097
(2-Bromo-4-methyl-1,3-thiazol-5-yl)methanol
CID 59295463
(2-Chloro-4-methylthiazol-5-yl)methanol
CID 13106536
(2-Methyl-4-(trifluoromethyl)thiazol-5-yl)methanol
CID 26598111
(4-Methyl-2-(trifluoromethyl)thiazol-5-yl)methanol
CID 46856414
[2-Ethyl-5-(trifluoromethyl)-1,3-thiazol-4-yl]methanol
CID 156722367
[2-Fluoro-5-(hydroxymethyl)-1,3-thiazol-4-yl]methanol
CID 156901844
(2-Ethyl-4-methyl-1,3-thiazol-5-yl)methanol
CID 15093928
(2-Bromo-4-(trifluoromethyl)thiazol-5-yl)methanol
CID 71721439
[4-(Difluoromethyl)-2-methyl-1,3-thiazol-5-yl]methanol
CID 126844205

Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-methyl-1,3-thiazol-4-yl)methanol?
The IUPAC name of (2-bromo-5-methyl-1,3-thiazol-4-yl)methanol (CID 58127549) is (2-bromo-5-methyl-1,3-thiazol-4-yl)methanol.
What is the SMILES notation for (2-bromo-5-methyl-1,3-thiazol-4-yl)methanol?
The canonical SMILES for (2-bromo-5-methyl-1,3-thiazol-4-yl)methanol is Cc1sc(Br)nc1CO.
What is the InChIKey of (2-bromo-5-methyl-1,3-thiazol-4-yl)methanol?
The InChIKey is MQMFHTSXMPGVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6BrNOS/c1-3-4(2-8)7-5(6)9-3/h8H,2H2,1H3.
What are the key properties of (2-bromo-5-methyl-1,3-thiazol-4-yl)methanol?
(2-bromo-5-methyl-1,3-thiazol-4-yl)methanol has a molecular weight of 208.08 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-5-methyl-1,3-thiazol-4-yl)methanol is sourced from PubChem (CID 58127549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).