N-[2-(dimethylamino)ethylcarbamoyl]-2-methyl-3-(methylamino)-N-propylpropanamide;5-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine

C21H40N6O2S — CID 144670616

IUPACN-[2-(dimethylamino)ethylcarbamoyl]-2-methyl-3-(methylamino)-N-propylpropanamide;5-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
SMILESCC1CCc2sc(N)nc2C1.CCCN(C(=O)NCCN(C)C)C(=O)C(C)CNC
InChIInChI=1S/C13H28N4O2.C8H12N2S/c1-6-8-17(12(18)11(2)10-14-3)13(19)15-7-9-16(4)5;1-5-2-3-7-6(4-5)10-8(9)11-7/h11,14H,6-10H2,1-5H3,(H,15,19);5H,2-4H2,1H3,(H2,9,10)
InChIKeyATADBVFOIQREIQ-UHFFFAOYSA-N
MW440.66 g/mol
LogP2.20
Rot. Bonds8

About N-[2-(dimethylamino)ethylcarbamoyl]-2-methyl-3-(methylamino)-N-propylpropanamide;5-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine

N-[2-(dimethylamino)ethylcarbamoyl]-2-methyl-3-(methylamino)-N-propylpropanamide;5-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine (PubChem CID 144670616) has the molecular formula C21H40N6O2S and a molecular weight of 440.66 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethylcarbamoyl]-2-methyl-3-(methylamino)-N-propylpropanamide;5-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethylcarbamoyl]-2-methyl-3-(methylamino)-N-propylpropanamide;5-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
PubChem CID144670616
Molecular FormulaC21H40N6O2S
Molecular Weight440.66 g/mol
Exact Mass440.29
IUPAC NameN-[2-(dimethylamino)ethylcarbamoyl]-2-methyl-3-(methylamino)-N-propylpropanamide;5-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
SMILESCC1CCc2sc(N)nc2C1.CCCN(C(=O)NCCN(C)C)C(=O)C(C)CNC
InChIInChI=1S/C13H28N4O2.C8H12N2S/c1-6-8-17(12(18)11(2)10-14-3)13(19)15-7-9-16(4)5;1-5-2-3-7-6(4-5)10-8(9)11-7/h11,14H,6-10H2,1-5H3,(H,15,19);5H,2-4H2,1H3,(H2,9,10)
InChIKeyATADBVFOIQREIQ-UHFFFAOYSA-N
XLogP2.20
TPSA103.59 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.66
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethylcarbamoyl]-2-methyl-3-(methylamino)-N-propylpropanamide;5-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
The IUPAC name of N-[2-(dimethylamino)ethylcarbamoyl]-2-methyl-3-(methylamino)-N-propylpropanamide;5-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine (CID 144670616) is N-[2-(dimethylamino)ethylcarbamoyl]-2-methyl-3-(methylamino)-N-propylpropanamide;5-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-[2-(dimethylamino)ethylcarbamoyl]-2-methyl-3-(methylamino)-N-propylpropanamide;5-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
The canonical SMILES for N-[2-(dimethylamino)ethylcarbamoyl]-2-methyl-3-(methylamino)-N-propylpropanamide;5-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine is CC1CCc2sc(N)nc2C1.CCCN(C(=O)NCCN(C)C)C(=O)C(C)CNC.
What is the InChIKey of N-[2-(dimethylamino)ethylcarbamoyl]-2-methyl-3-(methylamino)-N-propylpropanamide;5-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
The InChIKey is ATADBVFOIQREIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4O2.C8H12N2S/c1-6-8-17(12(18)11(2)10-14-3)13(19)15-7-9-16(4)5;1-5-2-3-7-6(4-5)10-8(9)11-7/h11,14H,6-10H2,1-5H3,(H,15,19);5H,2-4H2,1H3,(H2,9,10).
What are the key properties of N-[2-(dimethylamino)ethylcarbamoyl]-2-methyl-3-(methylamino)-N-propylpropanamide;5-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
N-[2-(dimethylamino)ethylcarbamoyl]-2-methyl-3-(methylamino)-N-propylpropanamide;5-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine has a molecular weight of 440.66 g/mol, XLogP of 2.20, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethylcarbamoyl]-2-methyl-3-(methylamino)-N-propylpropanamide;5-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine is sourced from PubChem (CID 144670616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).