(4-methoxy-2-methylphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanol

C14H18N2O2S — CID 105082992

IUPAC(4-methoxy-2-methylphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanol
SMILESCOc1ccc(C(O)c2snnc2C(C)C)c(C)c1
InChIInChI=1S/C14H18N2O2S/c1-8(2)12-14(19-16-15-12)13(17)11-6-5-10(18-4)7-9(11)3/h5-8,13,17H,1-4H3
InChIKeyKXPSXXHMAJMYIV-UHFFFAOYSA-N
MW278.38 g/mol
LogP3.06
Rot. Bonds4

About (4-methoxy-2-methylphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanol

(4-methoxy-2-methylphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanol (PubChem CID 105082992) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is (4-methoxy-2-methylphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanol.

Molecular Properties

Compound Name(4-methoxy-2-methylphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanol
PubChem CID105082992
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name(4-methoxy-2-methylphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanol
SMILESCOc1ccc(C(O)c2snnc2C(C)C)c(C)c1
InChIInChI=1S/C14H18N2O2S/c1-8(2)12-14(19-16-15-12)13(17)11-6-5-10(18-4)7-9(11)3/h5-8,13,17H,1-4H3
InChIKeyKXPSXXHMAJMYIV-UHFFFAOYSA-N
XLogP3.06
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3,5-dimethoxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanol
CID 105114504
(2-fluoro-3-methoxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanol
CID 105120967
(4-methoxy-2-methylphenyl)-(3-methyl-2-pyridinyl)methanol
CID 65313144
[(2,5-dimethoxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methyl]hydrazine
CID 105305151
(4-methoxy-2-methylphenyl)-phenylmethanol
CID 61101114
(4-methoxy-2-methylphenyl)-(4-methoxythiophen-2-yl)methanol
CID 81118539
(3,5-dimethoxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanamine
CID 105168313
(4-tert-butylthiadiazol-5-yl)-(2-fluoro-4-methoxyphenyl)methanol
CID 103397508
(4-chloro-3-methoxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanol
CID 105111085
2,2-dichloro-1-(4-methoxy-2-methylphenyl)ethanol
CID 164892247
(2,5-dimethylphenyl)-(4-methoxy-2-methylphenyl)methanol
CID 61101284
(5-chlorothiophen-2-yl)-(4-methoxy-2-methylphenyl)methanol
CID 62278042

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-2-methylphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanol?
The IUPAC name of (4-methoxy-2-methylphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanol (CID 105082992) is (4-methoxy-2-methylphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanol.
What is the SMILES notation for (4-methoxy-2-methylphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanol?
The canonical SMILES for (4-methoxy-2-methylphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanol is COc1ccc(C(O)c2snnc2C(C)C)c(C)c1.
What is the InChIKey of (4-methoxy-2-methylphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanol?
The InChIKey is KXPSXXHMAJMYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-8(2)12-14(19-16-15-12)13(17)11-6-5-10(18-4)7-9(11)3/h5-8,13,17H,1-4H3.
What are the key properties of (4-methoxy-2-methylphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanol?
(4-methoxy-2-methylphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanol has a molecular weight of 278.38 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-2-methylphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanol is sourced from PubChem (CID 105082992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).