(4-propan-2-yl-2-quinoxalin-6-yl-1,3-thiazol-5-yl)methanamine

C15H16N4S — CID 114361436

IUPAC(4-propan-2-yl-2-quinoxalin-6-yl-1,3-thiazol-5-yl)methanamine
SMILESCC(C)c1nc(-c2ccc3nccnc3c2)sc1CN
InChIInChI=1S/C15H16N4S/c1-9(2)14-13(8-16)20-15(19-14)10-3-4-11-12(7-10)18-6-5-17-11/h3-7,9H,8,16H2,1-2H3
InChIKeyJXKYIXNPNWLEFC-UHFFFAOYSA-N
MW284.39 g/mol
LogP3.34
Rot. Bonds3

About (4-propan-2-yl-2-quinoxalin-6-yl-1,3-thiazol-5-yl)methanamine

(4-propan-2-yl-2-quinoxalin-6-yl-1,3-thiazol-5-yl)methanamine (PubChem CID 114361436) has the molecular formula C15H16N4S and a molecular weight of 284.39 g/mol. Its IUPAC name is (4-propan-2-yl-2-quinoxalin-6-yl-1,3-thiazol-5-yl)methanamine.

Molecular Properties

Compound Name(4-propan-2-yl-2-quinoxalin-6-yl-1,3-thiazol-5-yl)methanamine
PubChem CID114361436
Molecular FormulaC15H16N4S
Molecular Weight284.39 g/mol
Exact Mass284.11
IUPAC Name(4-propan-2-yl-2-quinoxalin-6-yl-1,3-thiazol-5-yl)methanamine
SMILESCC(C)c1nc(-c2ccc3nccnc3c2)sc1CN
InChIInChI=1S/C15H16N4S/c1-9(2)14-13(8-16)20-15(19-14)10-3-4-11-12(7-10)18-6-5-17-11/h3-7,9H,8,16H2,1-2H3
InChIKeyJXKYIXNPNWLEFC-UHFFFAOYSA-N
XLogP3.34
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-(4-propan-2-yl-2-quinoxalin-6-yl-1,3-thiazol-5-yl)methanamine
CID 114364781
2-(4-methyl-2-quinoxalin-6-yl-1,3-thiazol-5-yl)ethanamine
CID 79154274
(4-propan-2-yl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanamine
CID 114361469
(2-isoquinolin-1-yl-4-propan-2-yl-1,3-thiazol-5-yl)methanamine
CID 114361405
[2-(5-bromo-2-pyridinyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
CID 114361381
(5-quinoxalin-6-ylthiophen-2-yl)methanamine
CID 54879573
[2-(3,4-dichlorophenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol
CID 82435026
6-(4-chloro-5-iodo-6-propan-2-ylpyrimidin-2-yl)quinoxaline
CID 66293428
[2-(6-methoxypyridazin-3-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
CID 103375118
[2-(4-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanethiol
CID 82433931
(3-quinoxalin-6-ylphenyl)methanamine
CID 68623609
1-[2-(3-fluorophenyl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114364905

Frequently Asked Questions

What is the IUPAC name of (4-propan-2-yl-2-quinoxalin-6-yl-1,3-thiazol-5-yl)methanamine?
The IUPAC name of (4-propan-2-yl-2-quinoxalin-6-yl-1,3-thiazol-5-yl)methanamine (CID 114361436) is (4-propan-2-yl-2-quinoxalin-6-yl-1,3-thiazol-5-yl)methanamine.
What is the SMILES notation for (4-propan-2-yl-2-quinoxalin-6-yl-1,3-thiazol-5-yl)methanamine?
The canonical SMILES for (4-propan-2-yl-2-quinoxalin-6-yl-1,3-thiazol-5-yl)methanamine is CC(C)c1nc(-c2ccc3nccnc3c2)sc1CN.
What is the InChIKey of (4-propan-2-yl-2-quinoxalin-6-yl-1,3-thiazol-5-yl)methanamine?
The InChIKey is JXKYIXNPNWLEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4S/c1-9(2)14-13(8-16)20-15(19-14)10-3-4-11-12(7-10)18-6-5-17-11/h3-7,9H,8,16H2,1-2H3.
What are the key properties of (4-propan-2-yl-2-quinoxalin-6-yl-1,3-thiazol-5-yl)methanamine?
(4-propan-2-yl-2-quinoxalin-6-yl-1,3-thiazol-5-yl)methanamine has a molecular weight of 284.39 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propan-2-yl-2-quinoxalin-6-yl-1,3-thiazol-5-yl)methanamine is sourced from PubChem (CID 114361436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).