(2-isoquinolin-1-yl-4-propan-2-yl-1,3-thiazol-5-yl)methanamine

C16H17N3S — CID 114361405

IUPAC(2-isoquinolin-1-yl-4-propan-2-yl-1,3-thiazol-5-yl)methanamine
SMILESCC(C)c1nc(-c2nccc3ccccc23)sc1CN
InChIInChI=1S/C16H17N3S/c1-10(2)14-13(9-17)20-16(19-14)15-12-6-4-3-5-11(12)7-8-18-15/h3-8,10H,9,17H2,1-2H3
InChIKeyQPHSRTUIHLBLCS-UHFFFAOYSA-N
MW283.40 g/mol
LogP3.94
Rot. Bonds3

About (2-isoquinolin-1-yl-4-propan-2-yl-1,3-thiazol-5-yl)methanamine

(2-isoquinolin-1-yl-4-propan-2-yl-1,3-thiazol-5-yl)methanamine (PubChem CID 114361405) has the molecular formula C16H17N3S and a molecular weight of 283.40 g/mol. Its IUPAC name is (2-isoquinolin-1-yl-4-propan-2-yl-1,3-thiazol-5-yl)methanamine.

Molecular Properties

Compound Name(2-isoquinolin-1-yl-4-propan-2-yl-1,3-thiazol-5-yl)methanamine
PubChem CID114361405
Molecular FormulaC16H17N3S
Molecular Weight283.40 g/mol
Exact Mass283.11
IUPAC Name(2-isoquinolin-1-yl-4-propan-2-yl-1,3-thiazol-5-yl)methanamine
SMILESCC(C)c1nc(-c2nccc3ccccc23)sc1CN
InChIInChI=1S/C16H17N3S/c1-10(2)14-13(9-17)20-16(19-14)15-12-6-4-3-5-11(12)7-8-18-15/h3-8,10H,9,17H2,1-2H3
InChIKeyQPHSRTUIHLBLCS-UHFFFAOYSA-N
XLogP3.94
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-isoquinolin-1-yl-4-methyl-1,3-thiazol-5-yl)-N-methylmethanamine
CID 63949685
2-isoquinolin-1-yl-5-methyl-1,3-thiazol-4-amine
CID 83107327
(4-propan-2-yl-2-quinoxalin-6-yl-1,3-thiazol-5-yl)methanamine
CID 114361436
[2-(5-bromo-2-pyridinyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
CID 114361381
(4-propan-2-yl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanamine
CID 114361469
[2-(6-methoxypyridazin-3-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
CID 103375118
2-isoquinolin-1-yl-5-methyl-1,3-thiazole-4-carboxylic acid
CID 113306488
[2-(3-methyl-2-pyridinyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 113497248
(2-isoquinolin-1-ylpyrimidin-4-yl)methanamine
CID 63948055
5-acetyl-2-isoquinolin-1-yl-1,3-thiazole-4-carboxylic acid
CID 106696372
ethane;isoquinolin-1-ylmethanamine
CID 145267324
carbanide;iridium;1-phenylisoquinoline
CID 166502152

Frequently Asked Questions

What is the IUPAC name of (2-isoquinolin-1-yl-4-propan-2-yl-1,3-thiazol-5-yl)methanamine?
The IUPAC name of (2-isoquinolin-1-yl-4-propan-2-yl-1,3-thiazol-5-yl)methanamine (CID 114361405) is (2-isoquinolin-1-yl-4-propan-2-yl-1,3-thiazol-5-yl)methanamine.
What is the SMILES notation for (2-isoquinolin-1-yl-4-propan-2-yl-1,3-thiazol-5-yl)methanamine?
The canonical SMILES for (2-isoquinolin-1-yl-4-propan-2-yl-1,3-thiazol-5-yl)methanamine is CC(C)c1nc(-c2nccc3ccccc23)sc1CN.
What is the InChIKey of (2-isoquinolin-1-yl-4-propan-2-yl-1,3-thiazol-5-yl)methanamine?
The InChIKey is QPHSRTUIHLBLCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3S/c1-10(2)14-13(9-17)20-16(19-14)15-12-6-4-3-5-11(12)7-8-18-15/h3-8,10H,9,17H2,1-2H3.
What are the key properties of (2-isoquinolin-1-yl-4-propan-2-yl-1,3-thiazol-5-yl)methanamine?
(2-isoquinolin-1-yl-4-propan-2-yl-1,3-thiazol-5-yl)methanamine has a molecular weight of 283.40 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-isoquinolin-1-yl-4-propan-2-yl-1,3-thiazol-5-yl)methanamine is sourced from PubChem (CID 114361405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).