(4-tert-butylthiadiazol-5-yl)-(3,4-dichlorophenyl)methanol

C13H14Cl2N2OS — CID 105133332

IUPAC(4-tert-butylthiadiazol-5-yl)-(3,4-dichlorophenyl)methanol
SMILESCC(C)(C)c1nnsc1C(O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H14Cl2N2OS/c1-13(2,3)12-11(19-17-16-12)10(18)7-4-5-8(14)9(15)6-7/h4-6,10,18H,1-3H3
InChIKeyYUUHPKKJQXHDBD-UHFFFAOYSA-N
MW317.24 g/mol
LogP4.22
Rot. Bonds2

About (4-tert-butylthiadiazol-5-yl)-(3,4-dichlorophenyl)methanol

(4-tert-butylthiadiazol-5-yl)-(3,4-dichlorophenyl)methanol (PubChem CID 105133332) has the molecular formula C13H14Cl2N2OS and a molecular weight of 317.24 g/mol. Its IUPAC name is (4-tert-butylthiadiazol-5-yl)-(3,4-dichlorophenyl)methanol.

Molecular Properties

Compound Name(4-tert-butylthiadiazol-5-yl)-(3,4-dichlorophenyl)methanol
PubChem CID105133332
Molecular FormulaC13H14Cl2N2OS
Molecular Weight317.24 g/mol
Exact Mass316.02
IUPAC Name(4-tert-butylthiadiazol-5-yl)-(3,4-dichlorophenyl)methanol
SMILESCC(C)(C)c1nnsc1C(O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H14Cl2N2OS/c1-13(2,3)12-11(19-17-16-12)10(18)7-4-5-8(14)9(15)6-7/h4-6,10,18H,1-3H3
InChIKeyYUUHPKKJQXHDBD-UHFFFAOYSA-N
XLogP4.22
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.24
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-tert-butylthiadiazol-5-yl)-(4-methylphenyl)methanol
CID 105078251
(4-tert-butylthiadiazol-5-yl)-[4-(trifluoromethyl)phenyl]methanol
CID 105093741
(4-tert-butylthiadiazol-5-yl)-(3-methoxyphenyl)methanol
CID 105076907
(4-tert-butylthiadiazol-5-yl)-[3-(trifluoromethyl)phenyl]methanol
CID 105092738
(4-tert-butylthiadiazol-5-yl)-(4-chloro-2-fluorophenyl)methanol
CID 105119916
1-(4-tert-butylthiadiazol-5-yl)-1-(3-chloro-4-methylphenyl)-N-methylmethanamine
CID 107561888
1-(4-tert-butylthiadiazol-5-yl)-2-(2,4-dichlorophenyl)ethanol
CID 105086800
[(4-tert-butylthiadiazol-5-yl)-(4-chloro-3-methoxyphenyl)methyl]hydrazine
CID 105320871
[1-(4-tert-butylthiadiazol-5-yl)-2-(3,4-dichlorophenyl)ethyl]hydrazine
CID 105296898
(3,4-dichlorophenyl)-(4-methyl-1,3-thiazol-5-yl)methanol
CID 22101846
(4-chloro-3-methoxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanol
CID 105111085
(4-tert-butylthiadiazol-5-yl)-(2-fluoro-4-methoxyphenyl)methanol
CID 103397508

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylthiadiazol-5-yl)-(3,4-dichlorophenyl)methanol?
The IUPAC name of (4-tert-butylthiadiazol-5-yl)-(3,4-dichlorophenyl)methanol (CID 105133332) is (4-tert-butylthiadiazol-5-yl)-(3,4-dichlorophenyl)methanol.
What is the SMILES notation for (4-tert-butylthiadiazol-5-yl)-(3,4-dichlorophenyl)methanol?
The canonical SMILES for (4-tert-butylthiadiazol-5-yl)-(3,4-dichlorophenyl)methanol is CC(C)(C)c1nnsc1C(O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (4-tert-butylthiadiazol-5-yl)-(3,4-dichlorophenyl)methanol?
The InChIKey is YUUHPKKJQXHDBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2OS/c1-13(2,3)12-11(19-17-16-12)10(18)7-4-5-8(14)9(15)6-7/h4-6,10,18H,1-3H3.
What are the key properties of (4-tert-butylthiadiazol-5-yl)-(3,4-dichlorophenyl)methanol?
(4-tert-butylthiadiazol-5-yl)-(3,4-dichlorophenyl)methanol has a molecular weight of 317.24 g/mol, XLogP of 4.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylthiadiazol-5-yl)-(3,4-dichlorophenyl)methanol is sourced from PubChem (CID 105133332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).