N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-(1,3-benzothiazol-2-yl)butanamide

C16H16N4O2S2 — CID 51258091

IUPACN-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-(1,3-benzothiazol-2-yl)butanamide
SMILESNC(=O)Cc1csc(NC(=O)CCCc2nc3ccccc3s2)n1
InChIInChI=1S/C16H16N4O2S2/c17-13(21)8-10-9-23-16(18-10)20-14(22)6-3-7-15-19-11-4-1-2-5-12(11)24-15/h1-2,4-5,9H,3,6-8H2,(H2,17,21)(H,18,20,22)
InChIKeyMZRVXRPIHVDAHK-UHFFFAOYSA-N
MW360.46 g/mol
LogP2.74
Rot. Bonds7

About N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-(1,3-benzothiazol-2-yl)butanamide

N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-(1,3-benzothiazol-2-yl)butanamide (PubChem CID 51258091) has the molecular formula C16H16N4O2S2 and a molecular weight of 360.46 g/mol. Its IUPAC name is N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-(1,3-benzothiazol-2-yl)butanamide.

Molecular Properties

Compound NameN-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-(1,3-benzothiazol-2-yl)butanamide
PubChem CID51258091
Molecular FormulaC16H16N4O2S2
Molecular Weight360.46 g/mol
Exact Mass360.07
IUPAC NameN-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-(1,3-benzothiazol-2-yl)butanamide
SMILESNC(=O)Cc1csc(NC(=O)CCCc2nc3ccccc3s2)n1
InChIInChI=1S/C16H16N4O2S2/c17-13(21)8-10-9-23-16(18-10)20-14(22)6-3-7-15-19-11-4-1-2-5-12(11)24-15/h1-2,4-5,9H,3,6-8H2,(H2,17,21)(H,18,20,22)
InChIKeyMZRVXRPIHVDAHK-UHFFFAOYSA-N
XLogP2.74
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-[[2-[1,3-benzothiazol-2-yl(methyl)amino]acetyl]amino]-1,3-thiazol-4-yl]acetamide
CID 90605494
4-(1,3-benzothiazol-2-yl)-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]butanamide
CID 55895223
4-(1,3-benzothiazol-2-yl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)butanamide
CID 51151121
5-(1,3-benzothiazol-2-yl)-N-(1,3-thiazol-2-yl)pentanamide
CID 18192870
N-(2-amino-2-oxoethyl)-5-(1,3-benzothiazol-2-yl)pentanamide
CID 9296966
4-(1,3-benzothiazol-2-yl)-N-naphthalen-1-ylbutanamide
CID 26087329
5-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)pentanamide
CID 9039379
4-(1,3-benzothiazol-2-yl)-N-pyridin-3-ylbutanamide
CID 51162107
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-5-(1,3-benzothiazol-2-yl)pentanamide
CID 78810380
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-(4-ethylphenyl)propanamide
CID 17443412
4-(1,3-benzothiazol-2-yl)-N-(2-propan-2-ylphenyl)butanamide
CID 26290774
3-[4-[4-(1,3-benzothiazol-2-yl)butanoylamino]phenyl]propanoic acid
CID 119252157

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-(1,3-benzothiazol-2-yl)butanamide?
The IUPAC name of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-(1,3-benzothiazol-2-yl)butanamide (CID 51258091) is N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-(1,3-benzothiazol-2-yl)butanamide.
What is the SMILES notation for N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-(1,3-benzothiazol-2-yl)butanamide?
The canonical SMILES for N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-(1,3-benzothiazol-2-yl)butanamide is NC(=O)Cc1csc(NC(=O)CCCc2nc3ccccc3s2)n1.
What is the InChIKey of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-(1,3-benzothiazol-2-yl)butanamide?
The InChIKey is MZRVXRPIHVDAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S2/c17-13(21)8-10-9-23-16(18-10)20-14(22)6-3-7-15-19-11-4-1-2-5-12(11)24-15/h1-2,4-5,9H,3,6-8H2,(H2,17,21)(H,18,20,22).
What are the key properties of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-(1,3-benzothiazol-2-yl)butanamide?
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-(1,3-benzothiazol-2-yl)butanamide has a molecular weight of 360.46 g/mol, XLogP of 2.74, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-(1,3-benzothiazol-2-yl)butanamide is sourced from PubChem (CID 51258091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).