4-(1H-indol-3-yl)-N-(1,3-thiazol-5-ylmethyl)butanamide

C16H17N3OS — CID 104579103

IUPAC4-(1H-indol-3-yl)-N-(1,3-thiazol-5-ylmethyl)butanamide
SMILESO=C(CCCc1c[nH]c2ccccc12)NCc1cncs1
InChIInChI=1S/C16H17N3OS/c20-16(19-10-13-9-17-11-21-13)7-3-4-12-8-18-15-6-2-1-5-14(12)15/h1-2,5-6,8-9,11,18H,3-4,7,10H2,(H,19,20)
InChIKeyLVSLRGSEYQUFNT-UHFFFAOYSA-N
MW299.40 g/mol
LogP3.26
Rot. Bonds6

About 4-(1H-indol-3-yl)-N-(1,3-thiazol-5-ylmethyl)butanamide

4-(1H-indol-3-yl)-N-(1,3-thiazol-5-ylmethyl)butanamide (PubChem CID 104579103) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is 4-(1H-indol-3-yl)-N-(1,3-thiazol-5-ylmethyl)butanamide.

Molecular Properties

Compound Name4-(1H-indol-3-yl)-N-(1,3-thiazol-5-ylmethyl)butanamide
PubChem CID104579103
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC Name4-(1H-indol-3-yl)-N-(1,3-thiazol-5-ylmethyl)butanamide
SMILESO=C(CCCc1c[nH]c2ccccc12)NCc1cncs1
InChIInChI=1S/C16H17N3OS/c20-16(19-10-13-9-17-11-21-13)7-3-4-12-8-18-15-6-2-1-5-14(12)15/h1-2,5-6,8-9,11,18H,3-4,7,10H2,(H,19,20)
InChIKeyLVSLRGSEYQUFNT-UHFFFAOYSA-N
XLogP3.26
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-chlorothiophen-2-yl)methyl]-4-(1H-indol-3-yl)butanamide
CID 32828147
4-(1H-indol-3-yl)-N-[2-[3-(1H-indol-3-yl)propanoylamino]ethyl]butanamide
CID 42506947
4-(1H-indol-3-yl)-N'-[2-(1H-indol-3-yl)acetyl]butanehydrazide
CID 29437828
N-[(4-chlorophenyl)methyl]-4-(1H-indol-3-yl)butanamide
CID 2114507
N-[(1-ethylpyrazol-3-yl)methyl]-4-(1H-indol-3-yl)butanamide
CID 19331006
N-but-2-ynyl-4-(1H-indol-3-yl)butanamide
CID 115866866
N-(2,3-dimethylbutyl)-4-(1H-indol-3-yl)butanamide
CID 64597246
3-(1H-indol-3-yl)-N-(pyridin-3-ylmethyl)propanamide
CID 4806902
N-[2-(ethylamino)ethyl]-4-(1H-indol-3-yl)butanamide
CID 62658030
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-4-(1H-indol-3-yl)butanamide
CID 19322988
3-(1H-indol-3-yl)-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 49346210
4-(1H-indol-3-yl)-N-[(1-phenylcyclopropyl)methyl]butanamide
CID 16582538

Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-3-yl)-N-(1,3-thiazol-5-ylmethyl)butanamide?
The IUPAC name of 4-(1H-indol-3-yl)-N-(1,3-thiazol-5-ylmethyl)butanamide (CID 104579103) is 4-(1H-indol-3-yl)-N-(1,3-thiazol-5-ylmethyl)butanamide.
What is the SMILES notation for 4-(1H-indol-3-yl)-N-(1,3-thiazol-5-ylmethyl)butanamide?
The canonical SMILES for 4-(1H-indol-3-yl)-N-(1,3-thiazol-5-ylmethyl)butanamide is O=C(CCCc1c[nH]c2ccccc12)NCc1cncs1.
What is the InChIKey of 4-(1H-indol-3-yl)-N-(1,3-thiazol-5-ylmethyl)butanamide?
The InChIKey is LVSLRGSEYQUFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3OS/c20-16(19-10-13-9-17-11-21-13)7-3-4-12-8-18-15-6-2-1-5-14(12)15/h1-2,5-6,8-9,11,18H,3-4,7,10H2,(H,19,20).
What are the key properties of 4-(1H-indol-3-yl)-N-(1,3-thiazol-5-ylmethyl)butanamide?
4-(1H-indol-3-yl)-N-(1,3-thiazol-5-ylmethyl)butanamide has a molecular weight of 299.40 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-3-yl)-N-(1,3-thiazol-5-ylmethyl)butanamide is sourced from PubChem (CID 104579103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).