N-[2-[(2R)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-2-methyl-1,3-benzothiazole-6-carboxamide

C19H26N4O2S — CID 99954907

IUPACN-[2-[(2R)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-2-methyl-1,3-benzothiazole-6-carboxamide
SMILESCc1nc2ccc(C(=O)NCC[C@H]3CCC(=O)N3CCN(C)C)cc2s1
InChIInChI=1S/C19H26N4O2S/c1-13-21-16-6-4-14(12-17(16)26-13)19(25)20-9-8-15-5-7-18(24)23(15)11-10-22(2)3/h4,6,12,15H,5,7-11H2,1-3H3,(H,20,25)/t15-/m1/s1
InChIKeyQYCXWCIDFXFIEG-OAHLLOKOSA-N
MW374.51 g/mol
LogP2.28
Rot. Bonds7

About N-[2-[(2R)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-2-methyl-1,3-benzothiazole-6-carboxamide

N-[2-[(2R)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-2-methyl-1,3-benzothiazole-6-carboxamide (PubChem CID 99954907) has the molecular formula C19H26N4O2S and a molecular weight of 374.51 g/mol. Its IUPAC name is N-[2-[(2R)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-2-methyl-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-[2-[(2R)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-2-methyl-1,3-benzothiazole-6-carboxamide
PubChem CID99954907
Molecular FormulaC19H26N4O2S
Molecular Weight374.51 g/mol
Exact Mass374.18
IUPAC NameN-[2-[(2R)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-2-methyl-1,3-benzothiazole-6-carboxamide
SMILESCc1nc2ccc(C(=O)NCC[C@H]3CCC(=O)N3CCN(C)C)cc2s1
InChIInChI=1S/C19H26N4O2S/c1-13-21-16-6-4-14(12-17(16)26-13)19(25)20-9-8-15-5-7-18(24)23(15)11-10-22(2)3/h4,6,12,15H,5,7-11H2,1-3H3,(H,20,25)/t15-/m1/s1
InChIKeyQYCXWCIDFXFIEG-OAHLLOKOSA-N
XLogP2.28
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-2-methyl-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-[2-[(2R)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-2-methyl-1,3-benzothiazole-6-carboxamide (CID 99954907) is N-[2-[(2R)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-2-methyl-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-[2-[(2R)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-2-methyl-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-[2-[(2R)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-2-methyl-1,3-benzothiazole-6-carboxamide is Cc1nc2ccc(C(=O)NCC[C@H]3CCC(=O)N3CCN(C)C)cc2s1.
What is the InChIKey of N-[2-[(2R)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-2-methyl-1,3-benzothiazole-6-carboxamide?
The InChIKey is QYCXWCIDFXFIEG-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H26N4O2S/c1-13-21-16-6-4-14(12-17(16)26-13)19(25)20-9-8-15-5-7-18(24)23(15)11-10-22(2)3/h4,6,12,15H,5,7-11H2,1-3H3,(H,20,25)/t15-/m1/s1.
What are the key properties of N-[2-[(2R)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-2-methyl-1,3-benzothiazole-6-carboxamide?
N-[2-[(2R)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-2-methyl-1,3-benzothiazole-6-carboxamide has a molecular weight of 374.51 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2R)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-2-methyl-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 99954907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).