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

C16H17N3S — CID 62065204

IUPAC5-(isoquinolin-5-ylmethyl)-4-propan-2-yl-1,3-thiazol-2-amine
SMILESCC(C)c1nc(N)sc1Cc1cccc2cnccc12
InChIInChI=1S/C16H17N3S/c1-10(2)15-14(20-16(17)19-15)8-11-4-3-5-12-9-18-7-6-13(11)12/h3-7,9-10H,8H2,1-2H3,(H2,17,19)
InChIKeyHXEHUALMCIOITB-UHFFFAOYSA-N
MW283.40 g/mol
LogP3.99
Rot. Bonds3

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

5-(isoquinolin-5-ylmethyl)-4-propan-2-yl-1,3-thiazol-2-amine (PubChem CID 62065204) has the molecular formula C16H17N3S and a molecular weight of 283.40 g/mol. Its IUPAC name is 5-(isoquinolin-5-ylmethyl)-4-propan-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(isoquinolin-5-ylmethyl)-4-propan-2-yl-1,3-thiazol-2-amine
PubChem CID62065204
Molecular FormulaC16H17N3S
Molecular Weight283.40 g/mol
Exact Mass283.11
IUPAC Name5-(isoquinolin-5-ylmethyl)-4-propan-2-yl-1,3-thiazol-2-amine
SMILESCC(C)c1nc(N)sc1Cc1cccc2cnccc12
InChIInChI=1S/C16H17N3S/c1-10(2)15-14(20-16(17)19-15)8-11-4-3-5-12-9-18-7-6-13(11)12/h3-7,9-10H,8H2,1-2H3,(H2,17,19)
InChIKeyHXEHUALMCIOITB-UHFFFAOYSA-N
XLogP3.99
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 ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3-fluoro-2-methylphenyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine
CID 62065750
5-[(3-chlorophenyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine
CID 62065554
N-(isoquinolin-5-ylmethyl)-1-phenylethanamine
CID 62823520
(1R)-N-(isoquinolin-5-ylmethyl)-1-phenylethanamine
CID 81351365
5-[(5-bromo-2-chlorophenyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine
CID 55188232
5-[(4-fluorophenyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine
CID 62065016
(2R)-2-(isoquinolin-5-ylmethylamino)propan-1-ol
CID 94873246
N-(isoquinolin-5-ylmethyl)-4-methylpentan-2-amine
CID 62823531
N-(isoquinolin-5-ylmethyl)-2-methylpentan-3-amine
CID 55118905
3-isoquinolin-5-yl-2-methylpentan-3-amine
CID 55119232
5-ethyl-4-propan-2-yl-1,3-thiazol-2-amine
CID 105434610
5-(3-chloro-4-methylpentyl)isoquinoline
CID 64506425

Frequently Asked Questions

What is the IUPAC name of 5-(isoquinolin-5-ylmethyl)-4-propan-2-yl-1,3-thiazol-2-amine?
The IUPAC name of 5-(isoquinolin-5-ylmethyl)-4-propan-2-yl-1,3-thiazol-2-amine (CID 62065204) is 5-(isoquinolin-5-ylmethyl)-4-propan-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(isoquinolin-5-ylmethyl)-4-propan-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for 5-(isoquinolin-5-ylmethyl)-4-propan-2-yl-1,3-thiazol-2-amine is CC(C)c1nc(N)sc1Cc1cccc2cnccc12.
What is the InChIKey of 5-(isoquinolin-5-ylmethyl)-4-propan-2-yl-1,3-thiazol-2-amine?
The InChIKey is HXEHUALMCIOITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3S/c1-10(2)15-14(20-16(17)19-15)8-11-4-3-5-12-9-18-7-6-13(11)12/h3-7,9-10H,8H2,1-2H3,(H2,17,19).
What are the key properties of 5-(isoquinolin-5-ylmethyl)-4-propan-2-yl-1,3-thiazol-2-amine?
5-(isoquinolin-5-ylmethyl)-4-propan-2-yl-1,3-thiazol-2-amine has a molecular weight of 283.40 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(isoquinolin-5-ylmethyl)-4-propan-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 62065204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).