N-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]quinoxalin-2-amine

C19H15ClN4S — CID 75416961

IUPACN-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]quinoxalin-2-amine
SMILESCc1sc(CNc2cnc3ccccc3n2)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C19H15ClN4S/c1-12-19(13-6-8-14(20)9-7-13)24-18(25-12)11-22-17-10-21-15-4-2-3-5-16(15)23-17/h2-10H,11H2,1H3,(H,22,23)
InChIKeyOGMPICARCKYWOR-UHFFFAOYSA-N
MW366.88 g/mol
LogP5.33
Rot. Bonds4

About N-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]quinoxalin-2-amine

N-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]quinoxalin-2-amine (PubChem CID 75416961) has the molecular formula C19H15ClN4S and a molecular weight of 366.88 g/mol. Its IUPAC name is N-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]quinoxalin-2-amine.

Molecular Properties

Compound NameN-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]quinoxalin-2-amine
PubChem CID75416961
Molecular FormulaC19H15ClN4S
Molecular Weight366.88 g/mol
Exact Mass366.07
IUPAC NameN-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]quinoxalin-2-amine
SMILESCc1sc(CNc2cnc3ccccc3n2)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C19H15ClN4S/c1-12-19(13-6-8-14(20)9-7-13)24-18(25-12)11-22-17-10-21-15-4-2-3-5-16(15)23-17/h2-10H,11H2,1H3,(H,22,23)
InChIKeyOGMPICARCKYWOR-UHFFFAOYSA-N
XLogP5.33
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.88
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]quinoxalin-2-amine?
The IUPAC name of N-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]quinoxalin-2-amine (CID 75416961) is N-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]quinoxalin-2-amine.
What is the SMILES notation for N-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]quinoxalin-2-amine?
The canonical SMILES for N-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]quinoxalin-2-amine is Cc1sc(CNc2cnc3ccccc3n2)nc1-c1ccc(Cl)cc1.
What is the InChIKey of N-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]quinoxalin-2-amine?
The InChIKey is OGMPICARCKYWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4S/c1-12-19(13-6-8-14(20)9-7-13)24-18(25-12)11-22-17-10-21-15-4-2-3-5-16(15)23-17/h2-10H,11H2,1H3,(H,22,23).
What are the key properties of N-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]quinoxalin-2-amine?
N-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]quinoxalin-2-amine has a molecular weight of 366.88 g/mol, XLogP of 5.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]quinoxalin-2-amine is sourced from PubChem (CID 75416961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).