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

C15H15N3OS — CID 49346210

IUPAC3-(1H-indol-3-yl)-N-(1,3-thiazol-4-ylmethyl)propanamide
SMILESO=C(CCc1c[nH]c2ccccc12)NCc1cscn1
InChIInChI=1S/C15H15N3OS/c19-15(17-8-12-9-20-10-18-12)6-5-11-7-16-14-4-2-1-3-13(11)14/h1-4,7,9-10,16H,5-6,8H2,(H,17,19)
InChIKeyNQKMVASTMLRPNI-UHFFFAOYSA-N
MW285.37 g/mol
LogP2.87
Rot. Bonds5

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

3-(1H-indol-3-yl)-N-(1,3-thiazol-4-ylmethyl)propanamide (PubChem CID 49346210) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-N-(1,3-thiazol-4-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-N-(1,3-thiazol-4-ylmethyl)propanamide
PubChem CID49346210
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name3-(1H-indol-3-yl)-N-(1,3-thiazol-4-ylmethyl)propanamide
SMILESO=C(CCc1c[nH]c2ccccc12)NCc1cscn1
InChIInChI=1S/C15H15N3OS/c19-15(17-8-12-9-20-10-18-12)6-5-11-7-16-14-4-2-1-3-13(11)14/h1-4,7,9-10,16H,5-6,8H2,(H,17,19)
InChIKeyNQKMVASTMLRPNI-UHFFFAOYSA-N
XLogP2.87
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
3-(1H-indol-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
CID 60983559
3-(1H-indol-3-yl)-N-[(2-methylphenyl)methyl]propanamide
CID 17473957
N-[(2-bromophenyl)methyl]-3-(1H-indol-3-yl)propanamide
CID 70209057
N-[(1-ethylpyrazol-3-yl)methyl]-3-(1H-indol-3-yl)propanamide
CID 19330998
N-hydroxy-3-(1H-indol-3-yl)propanamide
CID 23938574
3-(1H-indol-3-yl)-N-(pyridin-3-ylmethyl)propanamide
CID 4806902
4-(1H-indol-3-yl)-N-[2-[3-(1H-indol-3-yl)propanoylamino]ethyl]butanamide
CID 42506947
2-[3-(1H-indol-3-yl)propanoylamino]acetate
CID 7677841
N-(2-chloroprop-2-enyl)-3-(1H-indol-3-yl)propanamide
CID 115636757
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-(1H-indol-3-yl)propanamide
CID 26447481
4-(1H-indol-3-yl)-N-(1,3-thiazol-5-ylmethyl)butanamide
CID 104579103

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-N-(1,3-thiazol-4-ylmethyl)propanamide?
The IUPAC name of 3-(1H-indol-3-yl)-N-(1,3-thiazol-4-ylmethyl)propanamide (CID 49346210) is 3-(1H-indol-3-yl)-N-(1,3-thiazol-4-ylmethyl)propanamide.
What is the SMILES notation for 3-(1H-indol-3-yl)-N-(1,3-thiazol-4-ylmethyl)propanamide?
The canonical SMILES for 3-(1H-indol-3-yl)-N-(1,3-thiazol-4-ylmethyl)propanamide is O=C(CCc1c[nH]c2ccccc12)NCc1cscn1.
What is the InChIKey of 3-(1H-indol-3-yl)-N-(1,3-thiazol-4-ylmethyl)propanamide?
The InChIKey is NQKMVASTMLRPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c19-15(17-8-12-9-20-10-18-12)6-5-11-7-16-14-4-2-1-3-13(11)14/h1-4,7,9-10,16H,5-6,8H2,(H,17,19).
What are the key properties of 3-(1H-indol-3-yl)-N-(1,3-thiazol-4-ylmethyl)propanamide?
3-(1H-indol-3-yl)-N-(1,3-thiazol-4-ylmethyl)propanamide has a molecular weight of 285.37 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-N-(1,3-thiazol-4-ylmethyl)propanamide is sourced from PubChem (CID 49346210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).