(4-bromo-1,3-thiazol-2-yl)-pyridin-4-ylmethanol

C9H7BrN2OS — CID 114684195

IUPAC(4-bromo-1,3-thiazol-2-yl)-pyridin-4-ylmethanol
SMILESOC(c1ccncc1)c1nc(Br)cs1
InChIInChI=1S/C9H7BrN2OS/c10-7-5-14-9(12-7)8(13)6-1-3-11-4-2-6/h1-5,8,13H
InChIKeyBKTRHUUTMJYPCB-UHFFFAOYSA-N
MW271.14 g/mol
LogP2.38
Rot. Bonds2

About (4-bromo-1,3-thiazol-2-yl)-pyridin-4-ylmethanol

(4-bromo-1,3-thiazol-2-yl)-pyridin-4-ylmethanol (PubChem CID 114684195) has the molecular formula C9H7BrN2OS and a molecular weight of 271.14 g/mol. Its IUPAC name is (4-bromo-1,3-thiazol-2-yl)-pyridin-4-ylmethanol.

Molecular Properties

Compound Name(4-bromo-1,3-thiazol-2-yl)-pyridin-4-ylmethanol
PubChem CID114684195
Molecular FormulaC9H7BrN2OS
Molecular Weight271.14 g/mol
Exact Mass269.95
IUPAC Name(4-bromo-1,3-thiazol-2-yl)-pyridin-4-ylmethanol
SMILESOC(c1ccncc1)c1nc(Br)cs1
InChIInChI=1S/C9H7BrN2OS/c10-7-5-14-9(12-7)8(13)6-1-3-11-4-2-6/h1-5,8,13H
InChIKeyBKTRHUUTMJYPCB-UHFFFAOYSA-N
XLogP2.38
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.14
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-bromo-1,3-thiazol-2-yl)-(3-methylthiophen-2-yl)methanol
CID 114684226
(4-bromo-1,3-thiazol-2-yl)-(3-methylfuran-2-yl)methanol
CID 114684488
(4-bromo-1,3-thiazol-2-yl)-(2-ethylphenyl)methanol
CID 114684273
2-amino-1-(4-bromo-1,3-thiazol-2-yl)ethanol
CID 114684436
(4-bromo-1,3-thiazol-2-yl)-(2,5-dimethylthiophen-3-yl)methanol
CID 114684275
(4-bromo-1,3-thiazol-2-yl)-(7-methoxy-1,3-benzodioxol-5-yl)methanol
CID 114684484
[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-phenylmethanol
CID 63346605
(4-methyl-1,3-thiazol-2-yl)-phenylmethanol
CID 55201426
(3S)-3-(4-bromo-1,3-thiazol-2-yl)butan-1-ol
CID 101486525
(4-methylphenyl)-pyridin-4-ylmethanol
CID 3383504
(S)-(2-fluorophenyl)-pyridin-4-ylmethanol
CID 166771520
(1S)-1-(4-bromo-1,3-thiazol-2-yl)-2-methylpropan-1-amine;hydrochloride
CID 51039708

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1,3-thiazol-2-yl)-pyridin-4-ylmethanol?
The IUPAC name of (4-bromo-1,3-thiazol-2-yl)-pyridin-4-ylmethanol (CID 114684195) is (4-bromo-1,3-thiazol-2-yl)-pyridin-4-ylmethanol.
What is the SMILES notation for (4-bromo-1,3-thiazol-2-yl)-pyridin-4-ylmethanol?
The canonical SMILES for (4-bromo-1,3-thiazol-2-yl)-pyridin-4-ylmethanol is OC(c1ccncc1)c1nc(Br)cs1.
What is the InChIKey of (4-bromo-1,3-thiazol-2-yl)-pyridin-4-ylmethanol?
The InChIKey is BKTRHUUTMJYPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2OS/c10-7-5-14-9(12-7)8(13)6-1-3-11-4-2-6/h1-5,8,13H.
What are the key properties of (4-bromo-1,3-thiazol-2-yl)-pyridin-4-ylmethanol?
(4-bromo-1,3-thiazol-2-yl)-pyridin-4-ylmethanol has a molecular weight of 271.14 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1,3-thiazol-2-yl)-pyridin-4-ylmethanol is sourced from PubChem (CID 114684195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).