[4-[4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-yl]methanol

C14H13N3OS — CID 53485878

IUPAC[4-[4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-yl]methanol
SMILESCc1cn(-c2ccc(-c3csc(CO)n3)cc2)cn1
InChIInChI=1S/C14H13N3OS/c1-10-6-17(9-15-10)12-4-2-11(3-5-12)13-8-19-14(7-18)16-13/h2-6,8-9,18H,7H2,1H3
InChIKeyYUYLSVGDKITEOO-UHFFFAOYSA-N
MW271.35 g/mol
LogP2.80
Rot. Bonds3

About [4-[4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-yl]methanol

[4-[4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-yl]methanol (PubChem CID 53485878) has the molecular formula C14H13N3OS and a molecular weight of 271.35 g/mol. Its IUPAC name is [4-[4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-yl]methanol.

Molecular Properties

Compound Name[4-[4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-yl]methanol
PubChem CID53485878
Molecular FormulaC14H13N3OS
Molecular Weight271.35 g/mol
Exact Mass271.08
IUPAC Name[4-[4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-yl]methanol
SMILESCc1cn(-c2ccc(-c3csc(CO)n3)cc2)cn1
InChIInChI=1S/C14H13N3OS/c1-10-6-17(9-15-10)12-4-2-11(3-5-12)13-8-19-14(7-18)16-13/h2-6,8-9,18H,7H2,1H3
InChIKeyYUYLSVGDKITEOO-UHFFFAOYSA-N
XLogP2.80
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(4-methylimidazol-1-yl)phenyl]-N-(2,4,6-trichlorophenyl)-1,3-thiazol-2-amine
CID 58910643
3-N-ethyl-3-N,4,6-trimethyl-1-N-[4-[4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-yl]benzene-1,3-diamine
CID 58910975
[4-[2-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyridin-6-yl]-1,3-thiazol-2-yl]methanol
CID 66624295
[4-(1,3-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]methanol
CID 65194289
1-N,4-dimethyl-3-N-[4-[4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-yl]-1-N-propylbenzene-1,3-diamine
CID 58910697
[4-(4-propan-2-ylsulfanylphenyl)-1,3-thiazol-2-yl]methanol
CID 116867448
N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-4-[4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine
CID 58910535
3-N-(1-tert-butylsulfanylethyl)-2,4,6-trimethyl-1-N-[4-[4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-yl]benzene-1,3-diamine
CID 59429786
N-methyl-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]methanamine
CID 4660258
[4-[2-(4-methoxyphenyl)-3-methylimidazo[1,2-a]pyridin-6-yl]-1,3-thiazol-2-yl]methanol
CID 66624008
ethane;(4-methyl-1,3-thiazol-2-yl)methanol
CID 144707130
[4-[2-(2-fluoro-3-pyridinyl)imidazo[1,2-a]pyridin-6-yl]-1,3-thiazol-2-yl]methanol
CID 66624247

Frequently Asked Questions

What is the IUPAC name of [4-[4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-yl]methanol?
The IUPAC name of [4-[4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-yl]methanol (CID 53485878) is [4-[4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-yl]methanol.
What is the SMILES notation for [4-[4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-yl]methanol?
The canonical SMILES for [4-[4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-yl]methanol is Cc1cn(-c2ccc(-c3csc(CO)n3)cc2)cn1.
What is the InChIKey of [4-[4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-yl]methanol?
The InChIKey is YUYLSVGDKITEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c1-10-6-17(9-15-10)12-4-2-11(3-5-12)13-8-19-14(7-18)16-13/h2-6,8-9,18H,7H2,1H3.
What are the key properties of [4-[4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-yl]methanol?
[4-[4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-yl]methanol has a molecular weight of 271.35 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-yl]methanol is sourced from PubChem (CID 53485878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).