(4-tert-butylthiadiazol-5-yl)-(3-chloro-4-methylphenyl)methanone

C14H15ClN2OS — CID 107561535

IUPAC(4-tert-butylthiadiazol-5-yl)-(3-chloro-4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2snnc2C(C)(C)C)cc1Cl
InChIInChI=1S/C14H15ClN2OS/c1-8-5-6-9(7-10(8)15)11(18)12-13(14(2,3)4)16-17-19-12/h5-7H,1-4H3
InChIKeyFGCJSJWWTMLKMH-UHFFFAOYSA-N
MW294.81 g/mol
LogP4.03
Rot. Bonds2

About (4-tert-butylthiadiazol-5-yl)-(3-chloro-4-methylphenyl)methanone

(4-tert-butylthiadiazol-5-yl)-(3-chloro-4-methylphenyl)methanone (PubChem CID 107561535) has the molecular formula C14H15ClN2OS and a molecular weight of 294.81 g/mol. Its IUPAC name is (4-tert-butylthiadiazol-5-yl)-(3-chloro-4-methylphenyl)methanone.

Molecular Properties

Compound Name(4-tert-butylthiadiazol-5-yl)-(3-chloro-4-methylphenyl)methanone
PubChem CID107561535
Molecular FormulaC14H15ClN2OS
Molecular Weight294.81 g/mol
Exact Mass294.06
IUPAC Name(4-tert-butylthiadiazol-5-yl)-(3-chloro-4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2snnc2C(C)(C)C)cc1Cl
InChIInChI=1S/C14H15ClN2OS/c1-8-5-6-9(7-10(8)15)11(18)12-13(14(2,3)4)16-17-19-12/h5-7H,1-4H3
InChIKeyFGCJSJWWTMLKMH-UHFFFAOYSA-N
XLogP4.03
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.81
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-tert-butylthiadiazol-5-yl)-(3-chlorophenyl)methanone
CID 105082687
(4-tert-butylthiadiazol-5-yl)-(6-methyl-3-pyridinyl)methanone
CID 105098782
(4-tert-butylthiadiazol-5-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 105095545
4-tert-butyl-N-(3-hydroxy-4-methylphenyl)thiadiazole-5-carboxamide
CID 65205040
1-(4-tert-butylthiadiazol-5-yl)-2-(5-fluoro-2-methylphenyl)ethanone
CID 105376814
1-(4-tert-butylthiadiazol-5-yl)-1-(3-chloro-4-methylphenyl)-N-methylmethanamine
CID 107561888
3-chloro-4-methylbenzamide;ethane
CID 162191867
(3-bromo-4-methylphenyl)-(3-chloro-4-methylphenyl)methanone
CID 103693752
(3-chloro-4-methylphenyl)-(4-methylthiophen-3-yl)methanone
CID 107559906
(3-chloro-4-methylphenyl)-(6-methyl-3-pyridinyl)methanone
CID 114971606
(3-chloro-4-methylphenyl)-(4-fluoro-3-methylphenyl)methanone
CID 79736289
(3-chloro-4-methylphenyl)-pyridazin-4-ylmethanone
CID 107561470

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylthiadiazol-5-yl)-(3-chloro-4-methylphenyl)methanone?
The IUPAC name of (4-tert-butylthiadiazol-5-yl)-(3-chloro-4-methylphenyl)methanone (CID 107561535) is (4-tert-butylthiadiazol-5-yl)-(3-chloro-4-methylphenyl)methanone.
What is the SMILES notation for (4-tert-butylthiadiazol-5-yl)-(3-chloro-4-methylphenyl)methanone?
The canonical SMILES for (4-tert-butylthiadiazol-5-yl)-(3-chloro-4-methylphenyl)methanone is Cc1ccc(C(=O)c2snnc2C(C)(C)C)cc1Cl.
What is the InChIKey of (4-tert-butylthiadiazol-5-yl)-(3-chloro-4-methylphenyl)methanone?
The InChIKey is FGCJSJWWTMLKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2OS/c1-8-5-6-9(7-10(8)15)11(18)12-13(14(2,3)4)16-17-19-12/h5-7H,1-4H3.
What are the key properties of (4-tert-butylthiadiazol-5-yl)-(3-chloro-4-methylphenyl)methanone?
(4-tert-butylthiadiazol-5-yl)-(3-chloro-4-methylphenyl)methanone has a molecular weight of 294.81 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylthiadiazol-5-yl)-(3-chloro-4-methylphenyl)methanone is sourced from PubChem (CID 107561535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).