N-(5-fluoro-2-methoxyphenyl)-5-(4-methylpiperazin-1-yl)-1,3-benzothiazol-2-amine

C19H21FN4OS — CID 71478928

IUPACN-(5-fluoro-2-methoxyphenyl)-5-(4-methylpiperazin-1-yl)-1,3-benzothiazol-2-amine
SMILESCOc1ccc(F)cc1Nc1nc2cc(N3CCN(C)CC3)ccc2s1
InChIInChI=1S/C19H21FN4OS/c1-23-7-9-24(10-8-23)14-4-6-18-16(12-14)22-19(26-18)21-15-11-13(20)3-5-17(15)25-2/h3-6,11-12H,7-10H2,1-2H3,(H,21,22)
InChIKeyDSUFVCJBGUHVLD-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.94
Rot. Bonds4

About N-(5-fluoro-2-methoxyphenyl)-5-(4-methylpiperazin-1-yl)-1,3-benzothiazol-2-amine

N-(5-fluoro-2-methoxyphenyl)-5-(4-methylpiperazin-1-yl)-1,3-benzothiazol-2-amine (PubChem CID 71478928) has the molecular formula C19H21FN4OS and a molecular weight of 372.47 g/mol. Its IUPAC name is N-(5-fluoro-2-methoxyphenyl)-5-(4-methylpiperazin-1-yl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-(5-fluoro-2-methoxyphenyl)-5-(4-methylpiperazin-1-yl)-1,3-benzothiazol-2-amine
PubChem CID71478928
Molecular FormulaC19H21FN4OS
Molecular Weight372.47 g/mol
Exact Mass372.14
IUPAC NameN-(5-fluoro-2-methoxyphenyl)-5-(4-methylpiperazin-1-yl)-1,3-benzothiazol-2-amine
SMILESCOc1ccc(F)cc1Nc1nc2cc(N3CCN(C)CC3)ccc2s1
InChIInChI=1S/C19H21FN4OS/c1-23-7-9-24(10-8-23)14-4-6-18-16(12-14)22-19(26-18)21-15-11-13(20)3-5-17(15)25-2/h3-6,11-12H,7-10H2,1-2H3,(H,21,22)
InChIKeyDSUFVCJBGUHVLD-UHFFFAOYSA-N
XLogP3.94
TPSA40.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-methoxyphenyl)-5-(4-methylpiperazin-1-yl)-1,3-benzothiazol-2-amine?
The IUPAC name of N-(5-fluoro-2-methoxyphenyl)-5-(4-methylpiperazin-1-yl)-1,3-benzothiazol-2-amine (CID 71478928) is N-(5-fluoro-2-methoxyphenyl)-5-(4-methylpiperazin-1-yl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-(5-fluoro-2-methoxyphenyl)-5-(4-methylpiperazin-1-yl)-1,3-benzothiazol-2-amine?
The canonical SMILES for N-(5-fluoro-2-methoxyphenyl)-5-(4-methylpiperazin-1-yl)-1,3-benzothiazol-2-amine is COc1ccc(F)cc1Nc1nc2cc(N3CCN(C)CC3)ccc2s1.
What is the InChIKey of N-(5-fluoro-2-methoxyphenyl)-5-(4-methylpiperazin-1-yl)-1,3-benzothiazol-2-amine?
The InChIKey is DSUFVCJBGUHVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4OS/c1-23-7-9-24(10-8-23)14-4-6-18-16(12-14)22-19(26-18)21-15-11-13(20)3-5-17(15)25-2/h3-6,11-12H,7-10H2,1-2H3,(H,21,22).
What are the key properties of N-(5-fluoro-2-methoxyphenyl)-5-(4-methylpiperazin-1-yl)-1,3-benzothiazol-2-amine?
N-(5-fluoro-2-methoxyphenyl)-5-(4-methylpiperazin-1-yl)-1,3-benzothiazol-2-amine has a molecular weight of 372.47 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-methoxyphenyl)-5-(4-methylpiperazin-1-yl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 71478928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).