2-[2-[[2-[1,3-benzothiazol-2-yl(methyl)amino]acetyl]amino]-1,3-thiazol-4-yl]acetamide

C15H15N5O2S2 — CID 90605494

IUPAC2-[2-[[2-[1,3-benzothiazol-2-yl(methyl)amino]acetyl]amino]-1,3-thiazol-4-yl]acetamide
SMILESCN(CC(=O)Nc1nc(CC(N)=O)cs1)c1nc2ccccc2s1
InChIInChI=1S/C15H15N5O2S2/c1-20(15-18-10-4-2-3-5-11(10)24-15)7-13(22)19-14-17-9(8-23-14)6-12(16)21/h2-5,8H,6-7H2,1H3,(H2,16,21)(H,17,19,22)
InChIKeyLUJXBEWBDDIKNI-UHFFFAOYSA-N
MW361.45 g/mol
LogP1.86
Rot. Bonds6

About 2-[2-[[2-[1,3-benzothiazol-2-yl(methyl)amino]acetyl]amino]-1,3-thiazol-4-yl]acetamide

2-[2-[[2-[1,3-benzothiazol-2-yl(methyl)amino]acetyl]amino]-1,3-thiazol-4-yl]acetamide (PubChem CID 90605494) has the molecular formula C15H15N5O2S2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 2-[2-[[2-[1,3-benzothiazol-2-yl(methyl)amino]acetyl]amino]-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound Name2-[2-[[2-[1,3-benzothiazol-2-yl(methyl)amino]acetyl]amino]-1,3-thiazol-4-yl]acetamide
PubChem CID90605494
Molecular FormulaC15H15N5O2S2
Molecular Weight361.45 g/mol
Exact Mass361.07
IUPAC Name2-[2-[[2-[1,3-benzothiazol-2-yl(methyl)amino]acetyl]amino]-1,3-thiazol-4-yl]acetamide
SMILESCN(CC(=O)Nc1nc(CC(N)=O)cs1)c1nc2ccccc2s1
InChIInChI=1S/C15H15N5O2S2/c1-20(15-18-10-4-2-3-5-11(10)24-15)7-13(22)19-14-17-9(8-23-14)6-12(16)21/h2-5,8H,6-7H2,1H3,(H2,16,21)(H,17,19,22)
InChIKeyLUJXBEWBDDIKNI-UHFFFAOYSA-N
XLogP1.86
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[2-[[2-[1,3-benzothiazol-2-yl(methyl)amino]acetyl]amino]-1,3-thiazol-4-yl]acetamide with MolForge

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Related Compounds

2-[2-[[2-[(4-methoxy-1,3-benzothiazol-2-yl)-methylamino]acetyl]amino]-1,3-thiazol-4-yl]acetamide
CID 90605694
2-[1,3-benzothiazol-2-yl(methyl)amino]-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]acetamide
CID 56765746
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-(1,3-benzothiazol-2-yl)butanamide
CID 51258091
N-(4-acetamidophenyl)-2-[1,3-benzothiazol-2-yl(methyl)amino]acetamide
CID 90605410
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(2-methylphenyl)acetamide
CID 51258130
N-(1,3-benzodioxol-5-yl)-2-[1,3-benzothiazol-2-yl(methyl)amino]acetamide
CID 90605436
2-[1,3-benzothiazol-2-yl(methyl)amino]-N-(4-methylsulfonylphenyl)acetamide
CID 71790247
2-[1,3-benzothiazol-2-yl(methyl)amino]-N-cyclohexylacetamide
CID 90605360
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-chloro-1-benzothiophene-2-carboxamide
CID 17463764
N-(1,3-benzothiazol-2-yl)-2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 18567599
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-(4-ethylphenyl)propanamide
CID 17443412
2-[1,3-benzothiazol-2-yl(methyl)amino]-N-methoxy-N-methylacetamide
CID 90605517

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-[1,3-benzothiazol-2-yl(methyl)amino]acetyl]amino]-1,3-thiazol-4-yl]acetamide?
The IUPAC name of 2-[2-[[2-[1,3-benzothiazol-2-yl(methyl)amino]acetyl]amino]-1,3-thiazol-4-yl]acetamide (CID 90605494) is 2-[2-[[2-[1,3-benzothiazol-2-yl(methyl)amino]acetyl]amino]-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for 2-[2-[[2-[1,3-benzothiazol-2-yl(methyl)amino]acetyl]amino]-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for 2-[2-[[2-[1,3-benzothiazol-2-yl(methyl)amino]acetyl]amino]-1,3-thiazol-4-yl]acetamide is CN(CC(=O)Nc1nc(CC(N)=O)cs1)c1nc2ccccc2s1.
What is the InChIKey of 2-[2-[[2-[1,3-benzothiazol-2-yl(methyl)amino]acetyl]amino]-1,3-thiazol-4-yl]acetamide?
The InChIKey is LUJXBEWBDDIKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2S2/c1-20(15-18-10-4-2-3-5-11(10)24-15)7-13(22)19-14-17-9(8-23-14)6-12(16)21/h2-5,8H,6-7H2,1H3,(H2,16,21)(H,17,19,22).
What are the key properties of 2-[2-[[2-[1,3-benzothiazol-2-yl(methyl)amino]acetyl]amino]-1,3-thiazol-4-yl]acetamide?
2-[2-[[2-[1,3-benzothiazol-2-yl(methyl)amino]acetyl]amino]-1,3-thiazol-4-yl]acetamide has a molecular weight of 361.45 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-[1,3-benzothiazol-2-yl(methyl)amino]acetyl]amino]-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 90605494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).