2-methyl-5-(8-propan-2-ylisoquinolin-3-yl)-1,3-thiazole

C16H16N2S — CID 171431824

IUPAC2-methyl-5-(8-propan-2-ylisoquinolin-3-yl)-1,3-thiazole
SMILESCc1ncc(-c2cc3cccc(C(C)C)c3cn2)s1
InChIInChI=1S/C16H16N2S/c1-10(2)13-6-4-5-12-7-15(18-8-14(12)13)16-9-17-11(3)19-16/h4-10H,1-3H3
InChIKeyKZJPGZLXOBNNCC-UHFFFAOYSA-N
MW268.38 g/mol
LogP4.79
Rot. Bonds2

About 2-methyl-5-(8-propan-2-ylisoquinolin-3-yl)-1,3-thiazole

2-methyl-5-(8-propan-2-ylisoquinolin-3-yl)-1,3-thiazole (PubChem CID 171431824) has the molecular formula C16H16N2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 2-methyl-5-(8-propan-2-ylisoquinolin-3-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-5-(8-propan-2-ylisoquinolin-3-yl)-1,3-thiazole
PubChem CID171431824
Molecular FormulaC16H16N2S
Molecular Weight268.38 g/mol
Exact Mass268.10
IUPAC Name2-methyl-5-(8-propan-2-ylisoquinolin-3-yl)-1,3-thiazole
SMILESCc1ncc(-c2cc3cccc(C(C)C)c3cn2)s1
InChIInChI=1S/C16H16N2S/c1-10(2)13-6-4-5-12-7-15(18-8-14(12)13)16-9-17-11(3)19-16/h4-10H,1-3H3
InChIKeyKZJPGZLXOBNNCC-UHFFFAOYSA-N
XLogP4.79
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(8-tert-butylisoquinolin-3-yl)-2-methyl-1,3-thiazole
CID 139382525
1-propan-2-yl-6-(8-propan-2-ylisoquinolin-3-yl)isoquinoline
CID 129049108
8-propan-2-yl-3-(trifluoromethyl)isoquinoline
CID 176986033
(Z)-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-[4-(1-oxothian-4-yl)iminopiperidin-3-ylidene]methanamine
CID 164754008
1,6-di(propan-2-yl)naphthalene
CID 3016596
2-methyl-5-[5-(2-methyl-1,3-thiazol-5-yl)thiophen-2-yl]-1,3-thiazole
CID 134530178
N-methyl-4-(2-methyl-1,3-thiazol-5-yl)-6-phenylpyrimidin-2-amine
CID 59177709
ethane;2-methyl-5-(4-methylphenyl)-1,3-thiazole
CID 143737006
5-propan-2-ylnaphthalen-2-ol
CID 19011144
ethane;7-methyl-1-propan-2-ylnaphthalene
CID 177009970
7-methyl-1-propan-2-ylanthracene
CID 144739282
5-(6-ethyl-2-methylpyrimidin-4-yl)-2-methyl-1,3-thiazole
CID 118334147

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(8-propan-2-ylisoquinolin-3-yl)-1,3-thiazole?
The IUPAC name of 2-methyl-5-(8-propan-2-ylisoquinolin-3-yl)-1,3-thiazole (CID 171431824) is 2-methyl-5-(8-propan-2-ylisoquinolin-3-yl)-1,3-thiazole.
What is the SMILES notation for 2-methyl-5-(8-propan-2-ylisoquinolin-3-yl)-1,3-thiazole?
The canonical SMILES for 2-methyl-5-(8-propan-2-ylisoquinolin-3-yl)-1,3-thiazole is Cc1ncc(-c2cc3cccc(C(C)C)c3cn2)s1.
What is the InChIKey of 2-methyl-5-(8-propan-2-ylisoquinolin-3-yl)-1,3-thiazole?
The InChIKey is KZJPGZLXOBNNCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2S/c1-10(2)13-6-4-5-12-7-15(18-8-14(12)13)16-9-17-11(3)19-16/h4-10H,1-3H3.
What are the key properties of 2-methyl-5-(8-propan-2-ylisoquinolin-3-yl)-1,3-thiazole?
2-methyl-5-(8-propan-2-ylisoquinolin-3-yl)-1,3-thiazole has a molecular weight of 268.38 g/mol, XLogP of 4.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(8-propan-2-ylisoquinolin-3-yl)-1,3-thiazole is sourced from PubChem (CID 171431824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).