N-(6-acetamido-1,3-benzothiazol-2-yl)-3-(1H-indol-3-yl)propanamide

C20H18N4O2S — CID 30371053

IUPACN-(6-acetamido-1,3-benzothiazol-2-yl)-3-(1H-indol-3-yl)propanamide
SMILESCC(=O)Nc1ccc2nc(NC(=O)CCc3c[nH]c4ccccc34)sc2c1
InChIInChI=1S/C20H18N4O2S/c1-12(25)22-14-7-8-17-18(10-14)27-20(23-17)24-19(26)9-6-13-11-21-16-5-3-2-4-15(13)16/h2-5,7-8,10-11,21H,6,9H2,1H3,(H,22,25)(H,23,24,26)
InChIKeyBPJXRLHZSKYIMC-UHFFFAOYSA-N
MW378.46 g/mol
LogP4.31
Rot. Bonds5

About N-(6-acetamido-1,3-benzothiazol-2-yl)-3-(1H-indol-3-yl)propanamide

N-(6-acetamido-1,3-benzothiazol-2-yl)-3-(1H-indol-3-yl)propanamide (PubChem CID 30371053) has the molecular formula C20H18N4O2S and a molecular weight of 378.46 g/mol. Its IUPAC name is N-(6-acetamido-1,3-benzothiazol-2-yl)-3-(1H-indol-3-yl)propanamide.

Molecular Properties

Compound NameN-(6-acetamido-1,3-benzothiazol-2-yl)-3-(1H-indol-3-yl)propanamide
PubChem CID30371053
Molecular FormulaC20H18N4O2S
Molecular Weight378.46 g/mol
Exact Mass378.12
IUPAC NameN-(6-acetamido-1,3-benzothiazol-2-yl)-3-(1H-indol-3-yl)propanamide
SMILESCC(=O)Nc1ccc2nc(NC(=O)CCc3c[nH]c4ccccc34)sc2c1
InChIInChI=1S/C20H18N4O2S/c1-12(25)22-14-7-8-17-18(10-14)27-20(23-17)24-19(26)9-6-13-11-21-16-5-3-2-4-15(13)16/h2-5,7-8,10-11,21H,6,9H2,1H3,(H,22,25)(H,23,24,26)
InChIKeyBPJXRLHZSKYIMC-UHFFFAOYSA-N
XLogP4.31
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 54.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1H-indol-3-yl)-N-(6-phenoxy-1,3-benzothiazol-2-yl)propanamide
CID 7948398
N-(6-bromo-1,3-benzothiazol-2-yl)-4-(1H-indol-3-yl)butanamide
CID 20968977
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-phenylacetamide
CID 954022
N-(5-acetamido-2-methoxyphenyl)-3-(1H-indol-3-yl)propanamide
CID 42091850
3-(1H-indol-3-yl)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
CID 17472906
N-(6-acetamido-1,3-benzothiazol-2-yl)-3-phenylsulfanylpropanamide
CID 4281794
N-(6-acetamido-1,3-benzothiazol-2-yl)-4-(2-phenylethoxy)butanamide
CID 55832376
3-oxo-N-[6-[(2-phenylacetyl)amino]-1,3-benzothiazol-2-yl]butanamide
CID 57257022
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(2-methoxyphenyl)acetamide
CID 51336701
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 24627882
3-(1H-indol-3-yl)-N-(2-methyl-4-pyridinyl)propanamide
CID 78915659
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide
CID 30515096

Frequently Asked Questions

What is the IUPAC name of N-(6-acetamido-1,3-benzothiazol-2-yl)-3-(1H-indol-3-yl)propanamide?
The IUPAC name of N-(6-acetamido-1,3-benzothiazol-2-yl)-3-(1H-indol-3-yl)propanamide (CID 30371053) is N-(6-acetamido-1,3-benzothiazol-2-yl)-3-(1H-indol-3-yl)propanamide.
What is the SMILES notation for N-(6-acetamido-1,3-benzothiazol-2-yl)-3-(1H-indol-3-yl)propanamide?
The canonical SMILES for N-(6-acetamido-1,3-benzothiazol-2-yl)-3-(1H-indol-3-yl)propanamide is CC(=O)Nc1ccc2nc(NC(=O)CCc3c[nH]c4ccccc34)sc2c1.
What is the InChIKey of N-(6-acetamido-1,3-benzothiazol-2-yl)-3-(1H-indol-3-yl)propanamide?
The InChIKey is BPJXRLHZSKYIMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2S/c1-12(25)22-14-7-8-17-18(10-14)27-20(23-17)24-19(26)9-6-13-11-21-16-5-3-2-4-15(13)16/h2-5,7-8,10-11,21H,6,9H2,1H3,(H,22,25)(H,23,24,26).
What are the key properties of N-(6-acetamido-1,3-benzothiazol-2-yl)-3-(1H-indol-3-yl)propanamide?
N-(6-acetamido-1,3-benzothiazol-2-yl)-3-(1H-indol-3-yl)propanamide has a molecular weight of 378.46 g/mol, XLogP of 4.31, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-acetamido-1,3-benzothiazol-2-yl)-3-(1H-indol-3-yl)propanamide is sourced from PubChem (CID 30371053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).