N-hydroxy-4-[2-(1H-indol-3-ylmethyl)-1,3-thiazol-4-yl]butanamide

C16H17N3O2S — CID 151111117

IUPACN-hydroxy-4-[2-(1H-indol-3-ylmethyl)-1,3-thiazol-4-yl]butanamide
SMILESO=C(CCCc1csc(Cc2c[nH]c3ccccc23)n1)NO
InChIInChI=1S/C16H17N3O2S/c20-15(19-21)7-3-4-12-10-22-16(18-12)8-11-9-17-14-6-2-1-5-13(11)14/h1-2,5-6,9-10,17,21H,3-4,7-8H2,(H,19,20)
InChIKeyMQDMIIJMYXDQJD-UHFFFAOYSA-N
MW315.40 g/mol
LogP3.04
Rot. Bonds6

About N-hydroxy-4-[2-(1H-indol-3-ylmethyl)-1,3-thiazol-4-yl]butanamide

N-hydroxy-4-[2-(1H-indol-3-ylmethyl)-1,3-thiazol-4-yl]butanamide (PubChem CID 151111117) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is N-hydroxy-4-[2-(1H-indol-3-ylmethyl)-1,3-thiazol-4-yl]butanamide.

Molecular Properties

Compound NameN-hydroxy-4-[2-(1H-indol-3-ylmethyl)-1,3-thiazol-4-yl]butanamide
PubChem CID151111117
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC NameN-hydroxy-4-[2-(1H-indol-3-ylmethyl)-1,3-thiazol-4-yl]butanamide
SMILESO=C(CCCc1csc(Cc2c[nH]c3ccccc23)n1)NO
InChIInChI=1S/C16H17N3O2S/c20-15(19-21)7-3-4-12-10-22-16(18-12)8-11-9-17-14-6-2-1-5-13(11)14/h1-2,5-6,9-10,17,21H,3-4,7-8H2,(H,19,20)
InChIKeyMQDMIIJMYXDQJD-UHFFFAOYSA-N
XLogP3.04
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-hydroxy-3-(1H-indol-3-yl)propanamide
CID 23938574
N-hydroxy-2-(1H-indol-3-yl)acetamide
CID 13058633
N-(1H-indol-3-ylmethyl)-3-(2-phenyl-1,3-thiazol-4-yl)propanamide
CID 110406906
4-(1H-indol-3-yl)-N-(1,3-thiazol-5-ylmethyl)butanamide
CID 104579103
4-(1H-indol-3-yl)-N'-[2-(1H-indol-3-yl)acetyl]butanehydrazide
CID 29437828
4-(1H-indol-3-yl)-N-naphthalen-1-ylbutanamide
CID 26087317
4-(1H-indol-3-yl)-N-[2-[3-(1H-indol-3-yl)propanoylamino]ethyl]butanamide
CID 42506947
(2S)-2-[4-(1H-indol-3-yl)butanoylamino]propanoic acid
CID 644229
4-[2-(1H-indol-3-ylmethyl)-1,3-thiazol-4-yl]benzene-1,2-diol
CID 22332875
4-(1H-indol-3-yl)butanamide
CID 588715
N-cyclopropyl-4-(1H-indol-3-yl)butanamide
CID 729220
4-(1H-indol-3-yl)-N-(1-phenylethyl)butanamide
CID 4806761

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[2-(1H-indol-3-ylmethyl)-1,3-thiazol-4-yl]butanamide?
The IUPAC name of N-hydroxy-4-[2-(1H-indol-3-ylmethyl)-1,3-thiazol-4-yl]butanamide (CID 151111117) is N-hydroxy-4-[2-(1H-indol-3-ylmethyl)-1,3-thiazol-4-yl]butanamide.
What is the SMILES notation for N-hydroxy-4-[2-(1H-indol-3-ylmethyl)-1,3-thiazol-4-yl]butanamide?
The canonical SMILES for N-hydroxy-4-[2-(1H-indol-3-ylmethyl)-1,3-thiazol-4-yl]butanamide is O=C(CCCc1csc(Cc2c[nH]c3ccccc23)n1)NO.
What is the InChIKey of N-hydroxy-4-[2-(1H-indol-3-ylmethyl)-1,3-thiazol-4-yl]butanamide?
The InChIKey is MQDMIIJMYXDQJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S/c20-15(19-21)7-3-4-12-10-22-16(18-12)8-11-9-17-14-6-2-1-5-13(11)14/h1-2,5-6,9-10,17,21H,3-4,7-8H2,(H,19,20).
What are the key properties of N-hydroxy-4-[2-(1H-indol-3-ylmethyl)-1,3-thiazol-4-yl]butanamide?
N-hydroxy-4-[2-(1H-indol-3-ylmethyl)-1,3-thiazol-4-yl]butanamide has a molecular weight of 315.40 g/mol, XLogP of 3.04, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[2-(1H-indol-3-ylmethyl)-1,3-thiazol-4-yl]butanamide is sourced from PubChem (CID 151111117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).