(3,5-dimethoxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanol

C14H18N2O3S — CID 105114504

IUPAC(3,5-dimethoxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanol
SMILESCOc1cc(OC)cc(C(O)c2snnc2C(C)C)c1
InChIInChI=1S/C14H18N2O3S/c1-8(2)12-14(20-16-15-12)13(17)9-5-10(18-3)7-11(6-9)19-4/h5-8,13,17H,1-4H3
InChIKeyKOUZIAXIDDSKQQ-UHFFFAOYSA-N
MW294.38 g/mol
LogP2.76
Rot. Bonds5

About (3,5-dimethoxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanol

(3,5-dimethoxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanol (PubChem CID 105114504) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is (3,5-dimethoxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanol.

Molecular Properties

Compound Name(3,5-dimethoxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanol
PubChem CID105114504
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name(3,5-dimethoxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanol
SMILESCOc1cc(OC)cc(C(O)c2snnc2C(C)C)c1
InChIInChI=1S/C14H18N2O3S/c1-8(2)12-14(20-16-15-12)13(17)9-5-10(18-3)7-11(6-9)19-4/h5-8,13,17H,1-4H3
InChIKeyKOUZIAXIDDSKQQ-UHFFFAOYSA-N
XLogP2.76
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3,5-dimethoxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanamine
CID 105168313
(4-chloro-3-methoxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanol
CID 105111085
2,3-dihydro-1,4-benzodioxin-6-yl-(4-propan-2-ylthiadiazol-5-yl)methanol
CID 105092350
(4-tert-butylthiadiazol-5-yl)-(3-methoxyphenyl)methanol
CID 105076907
(2-fluoro-3-methoxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanol
CID 105120967
(2-propan-2-yloxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanol
CID 105117017
(3-chloro-4-methylthiophen-2-yl)-(3,5-dimethoxyphenyl)methanol
CID 103408157
(3-methyltriazol-4-yl)-(4-propan-2-ylthiadiazol-5-yl)methanol
CID 105128739
(1-methylimidazol-2-yl)-(4-propan-2-ylthiadiazol-5-yl)methanol
CID 65206047
(4-propan-2-ylthiadiazol-5-yl)-[3-(trifluoromethoxy)phenyl]methanamine
CID 105145823
[(2,5-dimethoxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methyl]hydrazine
CID 105305151
(3,5-dimethoxyphenyl)-(4-methoxythiophen-2-yl)methanol
CID 115821638

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethoxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanol?
The IUPAC name of (3,5-dimethoxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanol (CID 105114504) is (3,5-dimethoxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanol.
What is the SMILES notation for (3,5-dimethoxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanol?
The canonical SMILES for (3,5-dimethoxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanol is COc1cc(OC)cc(C(O)c2snnc2C(C)C)c1.
What is the InChIKey of (3,5-dimethoxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanol?
The InChIKey is KOUZIAXIDDSKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-8(2)12-14(20-16-15-12)13(17)9-5-10(18-3)7-11(6-9)19-4/h5-8,13,17H,1-4H3.
What are the key properties of (3,5-dimethoxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanol?
(3,5-dimethoxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanol has a molecular weight of 294.38 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethoxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanol is sourced from PubChem (CID 105114504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).