N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-3-(2-ethylimidazol-1-yl)propanamide

C16H19N5OS — CID 131925545

IUPACN-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-3-(2-ethylimidazol-1-yl)propanamide
SMILESCCc1nccn1CCC(=O)Nc1cc(C)c2nc(N)sc2c1
InChIInChI=1S/C16H19N5OS/c1-3-13-18-5-7-21(13)6-4-14(22)19-11-8-10(2)15-12(9-11)23-16(17)20-15/h5,7-9H,3-4,6H2,1-2H3,(H2,17,20)(H,19,22)
InChIKeyYJORCFOVPPAPSU-UHFFFAOYSA-N
MW329.43 g/mol
LogP2.97
Rot. Bonds5

About N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-3-(2-ethylimidazol-1-yl)propanamide

N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-3-(2-ethylimidazol-1-yl)propanamide (PubChem CID 131925545) has the molecular formula C16H19N5OS and a molecular weight of 329.43 g/mol. Its IUPAC name is N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-3-(2-ethylimidazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-3-(2-ethylimidazol-1-yl)propanamide
PubChem CID131925545
Molecular FormulaC16H19N5OS
Molecular Weight329.43 g/mol
Exact Mass329.13
IUPAC NameN-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-3-(2-ethylimidazol-1-yl)propanamide
SMILESCCc1nccn1CCC(=O)Nc1cc(C)c2nc(N)sc2c1
InChIInChI=1S/C16H19N5OS/c1-3-13-18-5-7-21(13)6-4-14(22)19-11-8-10(2)15-12(9-11)23-16(17)20-15/h5,7-9H,3-4,6H2,1-2H3,(H2,17,20)(H,19,22)
InChIKeyYJORCFOVPPAPSU-UHFFFAOYSA-N
XLogP2.97
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-3-(2-ethylimidazol-1-yl)propanamide?
The IUPAC name of N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-3-(2-ethylimidazol-1-yl)propanamide (CID 131925545) is N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-3-(2-ethylimidazol-1-yl)propanamide.
What is the SMILES notation for N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-3-(2-ethylimidazol-1-yl)propanamide?
The canonical SMILES for N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-3-(2-ethylimidazol-1-yl)propanamide is CCc1nccn1CCC(=O)Nc1cc(C)c2nc(N)sc2c1.
What is the InChIKey of N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-3-(2-ethylimidazol-1-yl)propanamide?
The InChIKey is YJORCFOVPPAPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5OS/c1-3-13-18-5-7-21(13)6-4-14(22)19-11-8-10(2)15-12(9-11)23-16(17)20-15/h5,7-9H,3-4,6H2,1-2H3,(H2,17,20)(H,19,22).
What are the key properties of N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-3-(2-ethylimidazol-1-yl)propanamide?
N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-3-(2-ethylimidazol-1-yl)propanamide has a molecular weight of 329.43 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-3-(2-ethylimidazol-1-yl)propanamide is sourced from PubChem (CID 131925545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).