N-[2-(3-fluorophenyl)-1,3-benzothiazol-5-yl]-4-methylpiperazine-1-carboxamide

C19H19FN4OS — CID 130248074

IUPACN-[2-(3-fluorophenyl)-1,3-benzothiazol-5-yl]-4-methylpiperazine-1-carboxamide
SMILESCN1CCN(C(=O)Nc2ccc3sc(-c4cccc(F)c4)nc3c2)CC1
InChIInChI=1S/C19H19FN4OS/c1-23-7-9-24(10-8-23)19(25)21-15-5-6-17-16(12-15)22-18(26-17)13-3-2-4-14(20)11-13/h2-6,11-12H,7-10H2,1H3,(H,21,25)
InChIKeyBINPAYAHZNGZJJ-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.88
Rot. Bonds2

About N-[2-(3-fluorophenyl)-1,3-benzothiazol-5-yl]-4-methylpiperazine-1-carboxamide

N-[2-(3-fluorophenyl)-1,3-benzothiazol-5-yl]-4-methylpiperazine-1-carboxamide (PubChem CID 130248074) has the molecular formula C19H19FN4OS and a molecular weight of 370.45 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)-1,3-benzothiazol-5-yl]-4-methylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)-1,3-benzothiazol-5-yl]-4-methylpiperazine-1-carboxamide
PubChem CID130248074
Molecular FormulaC19H19FN4OS
Molecular Weight370.45 g/mol
Exact Mass370.13
IUPAC NameN-[2-(3-fluorophenyl)-1,3-benzothiazol-5-yl]-4-methylpiperazine-1-carboxamide
SMILESCN1CCN(C(=O)Nc2ccc3sc(-c4cccc(F)c4)nc3c2)CC1
InChIInChI=1S/C19H19FN4OS/c1-23-7-9-24(10-8-23)19(25)21-15-5-6-17-16(12-15)22-18(26-17)13-3-2-4-14(20)11-13/h2-6,11-12H,7-10H2,1H3,(H,21,25)
InChIKeyBINPAYAHZNGZJJ-UHFFFAOYSA-N
XLogP3.88
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)-1,3-benzothiazol-5-yl]-4-methylpiperazine-1-carboxamide?
The IUPAC name of N-[2-(3-fluorophenyl)-1,3-benzothiazol-5-yl]-4-methylpiperazine-1-carboxamide (CID 130248074) is N-[2-(3-fluorophenyl)-1,3-benzothiazol-5-yl]-4-methylpiperazine-1-carboxamide.
What is the SMILES notation for N-[2-(3-fluorophenyl)-1,3-benzothiazol-5-yl]-4-methylpiperazine-1-carboxamide?
The canonical SMILES for N-[2-(3-fluorophenyl)-1,3-benzothiazol-5-yl]-4-methylpiperazine-1-carboxamide is CN1CCN(C(=O)Nc2ccc3sc(-c4cccc(F)c4)nc3c2)CC1.
What is the InChIKey of N-[2-(3-fluorophenyl)-1,3-benzothiazol-5-yl]-4-methylpiperazine-1-carboxamide?
The InChIKey is BINPAYAHZNGZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4OS/c1-23-7-9-24(10-8-23)19(25)21-15-5-6-17-16(12-15)22-18(26-17)13-3-2-4-14(20)11-13/h2-6,11-12H,7-10H2,1H3,(H,21,25).
What are the key properties of N-[2-(3-fluorophenyl)-1,3-benzothiazol-5-yl]-4-methylpiperazine-1-carboxamide?
N-[2-(3-fluorophenyl)-1,3-benzothiazol-5-yl]-4-methylpiperazine-1-carboxamide has a molecular weight of 370.45 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)-1,3-benzothiazol-5-yl]-4-methylpiperazine-1-carboxamide is sourced from PubChem (CID 130248074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).