5-(8-tert-butylisoquinolin-3-yl)-2-methyl-1,3-thiazole

C17H18N2S — CID 139382525

IUPAC5-(8-tert-butylisoquinolin-3-yl)-2-methyl-1,3-thiazole
SMILESCc1ncc(-c2cc3cccc(C(C)(C)C)c3cn2)s1
InChIInChI=1S/C17H18N2S/c1-11-18-10-16(20-11)15-8-12-6-5-7-14(17(2,3)4)13(12)9-19-15/h5-10H,1-4H3
InChIKeyREIRTAFTITWMSU-UHFFFAOYSA-N
MW282.41 g/mol
LogP4.96
Rot. Bonds1

About 5-(8-tert-butylisoquinolin-3-yl)-2-methyl-1,3-thiazole

5-(8-tert-butylisoquinolin-3-yl)-2-methyl-1,3-thiazole (PubChem CID 139382525) has the molecular formula C17H18N2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 5-(8-tert-butylisoquinolin-3-yl)-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-(8-tert-butylisoquinolin-3-yl)-2-methyl-1,3-thiazole
PubChem CID139382525
Molecular FormulaC17H18N2S
Molecular Weight282.41 g/mol
Exact Mass282.12
IUPAC Name5-(8-tert-butylisoquinolin-3-yl)-2-methyl-1,3-thiazole
SMILESCc1ncc(-c2cc3cccc(C(C)(C)C)c3cn2)s1
InChIInChI=1S/C17H18N2S/c1-11-18-10-16(20-11)15-8-12-6-5-7-14(17(2,3)4)13(12)9-19-15/h5-10H,1-4H3
InChIKeyREIRTAFTITWMSU-UHFFFAOYSA-N
XLogP4.96
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-5-(8-propan-2-ylisoquinolin-3-yl)-1,3-thiazole
CID 171431824
8-tert-butyl-N-phenylisoquinolin-3-amine
CID 122693229
1-tert-butyl-6-methylnaphthalene
CID 3019596
(Z)-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-[4-(1-oxothian-4-yl)iminopiperidin-3-ylidene]methanamine
CID 164754008
3-(2-methyl-1,3-thiazol-5-yl)benzoic acid
CID 68846285
2-methyl-5-[5-(2-methyl-1,3-thiazol-5-yl)thiophen-2-yl]-1,3-thiazole
CID 134530178
4-(4-tert-butylnaphthalen-2-yl)-2-thieno[2,3-c]pyridin-5-ylthieno[3,2-c]pyridine
CID 171718710
N-methyl-4-(2-methyl-1,3-thiazol-5-yl)-6-phenylpyrimidin-2-amine
CID 59177709
2-(3,5-ditert-butylphenyl)-5-phenylthieno[2,3-c]pyridine
CID 155626837
ethane;2-methyl-5-(4-methylphenyl)-1,3-thiazole
CID 143737006
5-(3,4-dimethylphenyl)-2-methyl-1,3-thiazole
CID 67394717
8-(trifluoromethyl)isoquinolin-3-amine
CID 71742569

Frequently Asked Questions

What is the IUPAC name of 5-(8-tert-butylisoquinolin-3-yl)-2-methyl-1,3-thiazole?
The IUPAC name of 5-(8-tert-butylisoquinolin-3-yl)-2-methyl-1,3-thiazole (CID 139382525) is 5-(8-tert-butylisoquinolin-3-yl)-2-methyl-1,3-thiazole.
What is the SMILES notation for 5-(8-tert-butylisoquinolin-3-yl)-2-methyl-1,3-thiazole?
The canonical SMILES for 5-(8-tert-butylisoquinolin-3-yl)-2-methyl-1,3-thiazole is Cc1ncc(-c2cc3cccc(C(C)(C)C)c3cn2)s1.
What is the InChIKey of 5-(8-tert-butylisoquinolin-3-yl)-2-methyl-1,3-thiazole?
The InChIKey is REIRTAFTITWMSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2S/c1-11-18-10-16(20-11)15-8-12-6-5-7-14(17(2,3)4)13(12)9-19-15/h5-10H,1-4H3.
What are the key properties of 5-(8-tert-butylisoquinolin-3-yl)-2-methyl-1,3-thiazole?
5-(8-tert-butylisoquinolin-3-yl)-2-methyl-1,3-thiazole has a molecular weight of 282.41 g/mol, XLogP of 4.96, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8-tert-butylisoquinolin-3-yl)-2-methyl-1,3-thiazole is sourced from PubChem (CID 139382525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).