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

C20H17ClN4S — CID 108771451

IUPAC3-chloro-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]quinoxalin-2-amine
SMILESCc1nc(-c2ccc(CCNc3nc4ccccc4nc3Cl)cc2)cs1
InChIInChI=1S/C20H17ClN4S/c1-13-23-18(12-26-13)15-8-6-14(7-9-15)10-11-22-20-19(21)24-16-4-2-3-5-17(16)25-20/h2-9,12H,10-11H2,1H3,(H,22,25)
InChIKeyJVWRGANPZCWQTP-UHFFFAOYSA-N
MW380.90 g/mol
LogP5.37
Rot. Bonds5

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

3-chloro-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]quinoxalin-2-amine (PubChem CID 108771451) has the molecular formula C20H17ClN4S and a molecular weight of 380.90 g/mol. Its IUPAC name is 3-chloro-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]quinoxalin-2-amine.

Molecular Properties

Compound Name3-chloro-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]quinoxalin-2-amine
PubChem CID108771451
Molecular FormulaC20H17ClN4S
Molecular Weight380.90 g/mol
Exact Mass380.09
IUPAC Name3-chloro-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]quinoxalin-2-amine
SMILESCc1nc(-c2ccc(CCNc3nc4ccccc4nc3Cl)cc2)cs1
InChIInChI=1S/C20H17ClN4S/c1-13-23-18(12-26-13)15-8-6-14(7-9-15)10-11-22-20-19(21)24-16-4-2-3-5-17(16)25-20/h2-9,12H,10-11H2,1H3,(H,22,25)
InChIKeyJVWRGANPZCWQTP-UHFFFAOYSA-N
XLogP5.37
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.90
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-4-[4-(2-phenylethyl)phenyl]-1,3-thiazole
CID 174868608
N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide;hydrochloride
CID 52984164
2-methyl-6-(4-methylphenyl)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]pyrimidin-4-amine
CID 108771421
3-chloro-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]quinoxalin-2-amine
CID 108775820
6-ethyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-1,3-benzothiazol-2-amine
CID 108771426
3-chloro-2,2-dimethyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]propanamide
CID 108749621
4-chloro-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzenesulfonamide
CID 108780120
4-(4-ethylphenyl)-2-methyl-1,3-thiazole
CID 19240269
3-chloro-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]quinoxalin-2-amine
CID 108772125
4-ethyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide
CID 16568166
3-amino-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]propanamide
CID 119308376
2-methylsulfanyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]acetamide
CID 47121427

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]quinoxalin-2-amine?
The IUPAC name of 3-chloro-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]quinoxalin-2-amine (CID 108771451) is 3-chloro-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]quinoxalin-2-amine.
What is the SMILES notation for 3-chloro-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]quinoxalin-2-amine?
The canonical SMILES for 3-chloro-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]quinoxalin-2-amine is Cc1nc(-c2ccc(CCNc3nc4ccccc4nc3Cl)cc2)cs1.
What is the InChIKey of 3-chloro-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]quinoxalin-2-amine?
The InChIKey is JVWRGANPZCWQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4S/c1-13-23-18(12-26-13)15-8-6-14(7-9-15)10-11-22-20-19(21)24-16-4-2-3-5-17(16)25-20/h2-9,12H,10-11H2,1H3,(H,22,25).
What are the key properties of 3-chloro-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]quinoxalin-2-amine?
3-chloro-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]quinoxalin-2-amine has a molecular weight of 380.90 g/mol, XLogP of 5.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]quinoxalin-2-amine is sourced from PubChem (CID 108771451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).