(2S)-2-amino-3-(1H-indol-3-yl)-1-(1,3-thiazol-2-yl)propan-1-one

C14H13N3OS — CID 142648564

IUPAC(2S)-2-amino-3-(1H-indol-3-yl)-1-(1,3-thiazol-2-yl)propan-1-one
SMILESN[C@@H](Cc1c[nH]c2ccccc12)C(=O)c1nccs1
InChIInChI=1S/C14H13N3OS/c15-11(13(18)14-16-5-6-19-14)7-9-8-17-12-4-2-1-3-10(9)12/h1-6,8,11,17H,7,15H2/t11-/m0/s1
InChIKeyRRLFZWMJTRITRQ-NSHDSACASA-N
MW271.35 g/mol
LogP2.38
Rot. Bonds4

About (2S)-2-amino-3-(1H-indol-3-yl)-1-(1,3-thiazol-2-yl)propan-1-one

(2S)-2-amino-3-(1H-indol-3-yl)-1-(1,3-thiazol-2-yl)propan-1-one (PubChem CID 142648564) has the molecular formula C14H13N3OS and a molecular weight of 271.35 g/mol. Its IUPAC name is (2S)-2-amino-3-(1H-indol-3-yl)-1-(1,3-thiazol-2-yl)propan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-3-(1H-indol-3-yl)-1-(1,3-thiazol-2-yl)propan-1-one
PubChem CID142648564
Molecular FormulaC14H13N3OS
Molecular Weight271.35 g/mol
Exact Mass271.08
IUPAC Name(2S)-2-amino-3-(1H-indol-3-yl)-1-(1,3-thiazol-2-yl)propan-1-one
SMILESN[C@@H](Cc1c[nH]c2ccccc12)C(=O)c1nccs1
InChIInChI=1S/C14H13N3OS/c15-11(13(18)14-16-5-6-19-14)7-9-8-17-12-4-2-1-3-10(9)12/h1-6,8,11,17H,7,15H2/t11-/m0/s1
InChIKeyRRLFZWMJTRITRQ-NSHDSACASA-N
XLogP2.38
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-3-(1H-indol-3-yl)(1,2,3-13C3)propanoic acid
CID 162642150
(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid
CID 6305
(2S)-2-amino-3-(1H-indol-3-yl)-N-[1-(1,3-thiazol-2-yl)propyl]propanamide;dihydrochloride
CID 119958111
(2S)-2-amino-3-(1H-indol-3-yl)-1-(2-sulfanylphenyl)propan-1-one
CID 141140938
(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid;manganese
CID 159424306
CID 70188356
CID 70188356
(2R)-2-amino-3-(1H-indol-3-yl)propanoyl fluoride
CID 175991895
2-amino-3-(1H-indol-3-yl)propanoic acid;gold
CID 175305655
2-amino-3-(1H-indol-3-yl)propanoic acid;dihydrate
CID 86010535
tris((2S)-2-amino-3-(1H-indol-3-yl)propanoate);chromium(3+)
CID 172797922
ethyl 2-amino-3-(1H-indol-3-yl)propanoate chloride
CID 16637454
sulfanyl (2S)-2-amino-3-(1H-indol-3-yl)propanoate
CID 175583817

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(1H-indol-3-yl)-1-(1,3-thiazol-2-yl)propan-1-one?
The IUPAC name of (2S)-2-amino-3-(1H-indol-3-yl)-1-(1,3-thiazol-2-yl)propan-1-one (CID 142648564) is (2S)-2-amino-3-(1H-indol-3-yl)-1-(1,3-thiazol-2-yl)propan-1-one.
What is the SMILES notation for (2S)-2-amino-3-(1H-indol-3-yl)-1-(1,3-thiazol-2-yl)propan-1-one?
The canonical SMILES for (2S)-2-amino-3-(1H-indol-3-yl)-1-(1,3-thiazol-2-yl)propan-1-one is N[C@@H](Cc1c[nH]c2ccccc12)C(=O)c1nccs1.
What is the InChIKey of (2S)-2-amino-3-(1H-indol-3-yl)-1-(1,3-thiazol-2-yl)propan-1-one?
The InChIKey is RRLFZWMJTRITRQ-NSHDSACASA-N. The full InChI is InChI=1S/C14H13N3OS/c15-11(13(18)14-16-5-6-19-14)7-9-8-17-12-4-2-1-3-10(9)12/h1-6,8,11,17H,7,15H2/t11-/m0/s1.
What are the key properties of (2S)-2-amino-3-(1H-indol-3-yl)-1-(1,3-thiazol-2-yl)propan-1-one?
(2S)-2-amino-3-(1H-indol-3-yl)-1-(1,3-thiazol-2-yl)propan-1-one has a molecular weight of 271.35 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(1H-indol-3-yl)-1-(1,3-thiazol-2-yl)propan-1-one is sourced from PubChem (CID 142648564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).