N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]quinoxalin-2-amine

C17H13N5S — CID 108780009

IUPACN-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]quinoxalin-2-amine
SMILESc1ccc2nc(NCc3csc(-c4ccncc4)n3)cnc2c1
InChIInChI=1S/C17H13N5S/c1-2-4-15-14(3-1)19-10-16(22-15)20-9-13-11-23-17(21-13)12-5-7-18-8-6-12/h1-8,10-11H,9H2,(H,20,22)
InChIKeySIIDWYNHHDFGBH-UHFFFAOYSA-N
MW319.39 g/mol
LogP3.76
Rot. Bonds4

About N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]quinoxalin-2-amine

N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]quinoxalin-2-amine (PubChem CID 108780009) has the molecular formula C17H13N5S and a molecular weight of 319.39 g/mol. Its IUPAC name is N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]quinoxalin-2-amine.

Molecular Properties

Compound NameN-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]quinoxalin-2-amine
PubChem CID108780009
Molecular FormulaC17H13N5S
Molecular Weight319.39 g/mol
Exact Mass319.09
IUPAC NameN-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]quinoxalin-2-amine
SMILESc1ccc2nc(NCc3csc(-c4ccncc4)n3)cnc2c1
InChIInChI=1S/C17H13N5S/c1-2-4-15-14(3-1)19-10-16(22-15)20-9-13-11-23-17(21-13)12-5-7-18-8-6-12/h1-8,10-11H,9H2,(H,20,22)
InChIKeySIIDWYNHHDFGBH-UHFFFAOYSA-N
XLogP3.76
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinoxalin-2-amine
CID 47292925
N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]pyrimidin-2-amine
CID 108780015
N-methyl-4-[(quinoxalin-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 167858712
N-[(5-methylpyrazin-2-yl)methyl]quinoxalin-2-amine
CID 62846299
2,2-dimethyl-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]propanamide
CID 108749201
N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrazin-2-amine
CID 99832865
[4-[(quinoxalin-2-ylamino)methyl]phenyl]methanol
CID 107232330
1-pyridin-4-yl-N-(quinoxalin-2-ylmethyl)methanamine
CID 43769368
N-[[2-(3-methylphenyl)-1,3-thiazol-4-yl]methyl]pyrimidin-4-amine
CID 72891816
1-phenyl-3-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]thiourea
CID 108784372
2-naphthalen-1-yl-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 108749285
N-(2-methyl-2-thiophen-2-ylpropyl)quinoxalin-2-amine
CID 78962959

Frequently Asked Questions

What is the IUPAC name of N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]quinoxalin-2-amine?
The IUPAC name of N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]quinoxalin-2-amine (CID 108780009) is N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]quinoxalin-2-amine.
What is the SMILES notation for N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]quinoxalin-2-amine?
The canonical SMILES for N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]quinoxalin-2-amine is c1ccc2nc(NCc3csc(-c4ccncc4)n3)cnc2c1.
What is the InChIKey of N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]quinoxalin-2-amine?
The InChIKey is SIIDWYNHHDFGBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5S/c1-2-4-15-14(3-1)19-10-16(22-15)20-9-13-11-23-17(21-13)12-5-7-18-8-6-12/h1-8,10-11H,9H2,(H,20,22).
What are the key properties of N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]quinoxalin-2-amine?
N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]quinoxalin-2-amine has a molecular weight of 319.39 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]quinoxalin-2-amine is sourced from PubChem (CID 108780009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).