N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide

C19H21N5O2S — CID 131635928

IUPACN-[(2-amino-1,3-benzothiazol-6-yl)methyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide
SMILESCOc1cc(C(=O)NCc2ccc3nc(N)sc3c2)ccc1C1CNNC1
InChIInChI=1S/C19H21N5O2S/c1-26-16-7-12(3-4-14(16)13-9-22-23-10-13)18(25)21-8-11-2-5-15-17(6-11)27-19(20)24-15/h2-7,13,22-23H,8-10H2,1H3,(H2,20,24)(H,21,25)
InChIKeyGBKLYVPFPHLJPM-UHFFFAOYSA-N
MW383.48 g/mol
LogP2.01
Rot. Bonds5

About N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide

N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide (PubChem CID 131635928) has the molecular formula C19H21N5O2S and a molecular weight of 383.48 g/mol. Its IUPAC name is N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide.

Molecular Properties

Compound NameN-[(2-amino-1,3-benzothiazol-6-yl)methyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide
PubChem CID131635928
Molecular FormulaC19H21N5O2S
Molecular Weight383.48 g/mol
Exact Mass383.14
IUPAC NameN-[(2-amino-1,3-benzothiazol-6-yl)methyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide
SMILESCOc1cc(C(=O)NCc2ccc3nc(N)sc3c2)ccc1C1CNNC1
InChIInChI=1S/C19H21N5O2S/c1-26-16-7-12(3-4-14(16)13-9-22-23-10-13)18(25)21-8-11-2-5-15-17(6-11)27-19(20)24-15/h2-7,13,22-23H,8-10H2,1H3,(H2,20,24)(H,21,25)
InChIKeyGBKLYVPFPHLJPM-UHFFFAOYSA-N
XLogP2.01
TPSA101.30 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.48
LogP ≤ 52.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide?
The IUPAC name of N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide (CID 131635928) is N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide.
What is the SMILES notation for N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide?
The canonical SMILES for N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide is COc1cc(C(=O)NCc2ccc3nc(N)sc3c2)ccc1C1CNNC1.
What is the InChIKey of N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide?
The InChIKey is GBKLYVPFPHLJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2S/c1-26-16-7-12(3-4-14(16)13-9-22-23-10-13)18(25)21-8-11-2-5-15-17(6-11)27-19(20)24-15/h2-7,13,22-23H,8-10H2,1H3,(H2,20,24)(H,21,25).
What are the key properties of N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide?
N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide has a molecular weight of 383.48 g/mol, XLogP of 2.01, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide is sourced from PubChem (CID 131635928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).