2-[(4-amino-1,3-benzothiazol-5-yl)-methylamino]acetamide

C10H12N4OS — CID 43451444

IUPAC2-[(4-amino-1,3-benzothiazol-5-yl)-methylamino]acetamide
SMILESCN(CC(N)=O)c1ccc2scnc2c1N
InChIInChI=1S/C10H12N4OS/c1-14(4-8(11)15)6-2-3-7-10(9(6)12)13-5-16-7/h2-3,5H,4,12H2,1H3,(H2,11,15)
InChIKeyCVBVDLFGADSAGC-UHFFFAOYSA-N
MW236.30 g/mol
LogP0.80
Rot. Bonds3

About 2-[(4-amino-1,3-benzothiazol-5-yl)-methylamino]acetamide

2-[(4-amino-1,3-benzothiazol-5-yl)-methylamino]acetamide (PubChem CID 43451444) has the molecular formula C10H12N4OS and a molecular weight of 236.30 g/mol. Its IUPAC name is 2-[(4-amino-1,3-benzothiazol-5-yl)-methylamino]acetamide.

Molecular Properties

Compound Name2-[(4-amino-1,3-benzothiazol-5-yl)-methylamino]acetamide
PubChem CID43451444
Molecular FormulaC10H12N4OS
Molecular Weight236.30 g/mol
Exact Mass236.07
IUPAC Name2-[(4-amino-1,3-benzothiazol-5-yl)-methylamino]acetamide
SMILESCN(CC(N)=O)c1ccc2scnc2c1N
InChIInChI=1S/C10H12N4OS/c1-14(4-8(11)15)6-2-3-7-10(9(6)12)13-5-16-7/h2-3,5H,4,12H2,1H3,(H2,11,15)
InChIKeyCVBVDLFGADSAGC-UHFFFAOYSA-N
XLogP0.80
TPSA85.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-N-methyl-5-N-propyl-1,3-benzothiazole-4,5-diamine
CID 43451418
5-N-(3-methoxypropyl)-5-N-methyl-1,3-benzothiazole-4,5-diamine
CID 55141849
5-N-(cyclobutylmethyl)-5-N-methyl-1,3-benzothiazole-4,5-diamine
CID 62861479
5-N-methyl-5-N-(pyridin-3-ylmethyl)-1,3-benzothiazole-4,5-diamine
CID 43563381
5-N-methyl-5-N-(oxan-4-ylmethyl)-1,3-benzothiazole-4,5-diamine
CID 63725605
3-[(4-amino-1,3-benzothiazol-5-yl)-propan-2-ylamino]propan-1-ol
CID 54993234
5-N-(4-ethylcyclohexyl)-5-N-methyl-1,3-benzothiazole-4,5-diamine
CID 63403100
methyl 2-[(4-amino-1,3-benzothiazol-5-yl)sulfanyl]acetate
CID 43617915
5-N-cyclopropyl-5-N-ethyl-1,3-benzothiazole-4,5-diamine
CID 43451401
2-[(4-amino-1,3-benzothiazol-5-yl)amino]-N-ethyl-N-methylpropanamide
CID 103106749
5-N-[1-(2-fluorophenyl)ethyl]-5-N-methyl-1,3-benzothiazole-4,5-diamine
CID 62978278
5-ethylsulfonyl-1,3-benzothiazol-4-amine
CID 43451183

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-1,3-benzothiazol-5-yl)-methylamino]acetamide?
The IUPAC name of 2-[(4-amino-1,3-benzothiazol-5-yl)-methylamino]acetamide (CID 43451444) is 2-[(4-amino-1,3-benzothiazol-5-yl)-methylamino]acetamide.
What is the SMILES notation for 2-[(4-amino-1,3-benzothiazol-5-yl)-methylamino]acetamide?
The canonical SMILES for 2-[(4-amino-1,3-benzothiazol-5-yl)-methylamino]acetamide is CN(CC(N)=O)c1ccc2scnc2c1N.
What is the InChIKey of 2-[(4-amino-1,3-benzothiazol-5-yl)-methylamino]acetamide?
The InChIKey is CVBVDLFGADSAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4OS/c1-14(4-8(11)15)6-2-3-7-10(9(6)12)13-5-16-7/h2-3,5H,4,12H2,1H3,(H2,11,15).
What are the key properties of 2-[(4-amino-1,3-benzothiazol-5-yl)-methylamino]acetamide?
2-[(4-amino-1,3-benzothiazol-5-yl)-methylamino]acetamide has a molecular weight of 236.30 g/mol, XLogP of 0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-1,3-benzothiazol-5-yl)-methylamino]acetamide is sourced from PubChem (CID 43451444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).