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

C10H10BrNOS2 — CID 114684275

IUPAC(4-bromo-1,3-thiazol-2-yl)-(2,5-dimethylthiophen-3-yl)methanol
SMILESCc1cc(C(O)c2nc(Br)cs2)c(C)s1
InChIInChI=1S/C10H10BrNOS2/c1-5-3-7(6(2)15-5)9(13)10-12-8(11)4-14-10/h3-4,9,13H,1-2H3
InChIKeyYBCPNCKVFMYQJL-UHFFFAOYSA-N
MW304.23 g/mol
LogP3.67
Rot. Bonds2

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

(4-bromo-1,3-thiazol-2-yl)-(2,5-dimethylthiophen-3-yl)methanol (PubChem CID 114684275) has the molecular formula C10H10BrNOS2 and a molecular weight of 304.23 g/mol. Its IUPAC name is (4-bromo-1,3-thiazol-2-yl)-(2,5-dimethylthiophen-3-yl)methanol.

Molecular Properties

Compound Name(4-bromo-1,3-thiazol-2-yl)-(2,5-dimethylthiophen-3-yl)methanol
PubChem CID114684275
Molecular FormulaC10H10BrNOS2
Molecular Weight304.23 g/mol
Exact Mass302.94
IUPAC Name(4-bromo-1,3-thiazol-2-yl)-(2,5-dimethylthiophen-3-yl)methanol
SMILESCc1cc(C(O)c2nc(Br)cs2)c(C)s1
InChIInChI=1S/C10H10BrNOS2/c1-5-3-7(6(2)15-5)9(13)10-12-8(11)4-14-10/h3-4,9,13H,1-2H3
InChIKeyYBCPNCKVFMYQJL-UHFFFAOYSA-N
XLogP3.67
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.23
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-bromo-5-methylphenyl)-(2,5-dimethylthiophen-3-yl)methanol
CID 81111173
(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)-pyridin-4-ylmethanol
CID 114684195
2-(1-aminoethyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 66390401
(4-bromo-2-chlorophenyl)-(2,5-dimethylthiophen-3-yl)methanol
CID 61088539
(3-bromo-2-fluorophenyl)-(2,5-dimethylthiophen-3-yl)methanol
CID 106644397
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2,5-dimethylthiophen-3-yl)ethanol
CID 79820476
[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(2,5-dimethylthiophen-3-yl)methanol
CID 106971544
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 86986105
2-amino-1-(4-bromo-1,3-thiazol-2-yl)ethanol
CID 114684436
(2,5-dimethylthiophen-3-yl)-(3,4,5-trifluorophenyl)methanol
CID 63186629

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1,3-thiazol-2-yl)-(2,5-dimethylthiophen-3-yl)methanol?
The IUPAC name of (4-bromo-1,3-thiazol-2-yl)-(2,5-dimethylthiophen-3-yl)methanol (CID 114684275) is (4-bromo-1,3-thiazol-2-yl)-(2,5-dimethylthiophen-3-yl)methanol.
What is the SMILES notation for (4-bromo-1,3-thiazol-2-yl)-(2,5-dimethylthiophen-3-yl)methanol?
The canonical SMILES for (4-bromo-1,3-thiazol-2-yl)-(2,5-dimethylthiophen-3-yl)methanol is Cc1cc(C(O)c2nc(Br)cs2)c(C)s1.
What is the InChIKey of (4-bromo-1,3-thiazol-2-yl)-(2,5-dimethylthiophen-3-yl)methanol?
The InChIKey is YBCPNCKVFMYQJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNOS2/c1-5-3-7(6(2)15-5)9(13)10-12-8(11)4-14-10/h3-4,9,13H,1-2H3.
What are the key properties of (4-bromo-1,3-thiazol-2-yl)-(2,5-dimethylthiophen-3-yl)methanol?
(4-bromo-1,3-thiazol-2-yl)-(2,5-dimethylthiophen-3-yl)methanol has a molecular weight of 304.23 g/mol, XLogP of 3.67, 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)-(2,5-dimethylthiophen-3-yl)methanol is sourced from PubChem (CID 114684275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).