2-[(2S)-1-[2-(1H-indol-3-yl)acetyl]piperidin-2-yl]-1,3-thiazole-5-carboxamide

C19H20N4O2S — CID 124946578

IUPAC2-[(2S)-1-[2-(1H-indol-3-yl)acetyl]piperidin-2-yl]-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1cnc([C@@H]2CCCCN2C(=O)Cc2c[nH]c3ccccc23)s1
InChIInChI=1S/C19H20N4O2S/c20-18(25)16-11-22-19(26-16)15-7-3-4-8-23(15)17(24)9-12-10-21-14-6-2-1-5-13(12)14/h1-2,5-6,10-11,15,21H,3-4,7-9H2,(H2,20,25)/t15-/m0/s1
InChIKeyBZEBLZJYJOWBKS-HNNXBMFYSA-N
MW368.46 g/mol
LogP3.02
Rot. Bonds4

About 2-[(2S)-1-[2-(1H-indol-3-yl)acetyl]piperidin-2-yl]-1,3-thiazole-5-carboxamide

2-[(2S)-1-[2-(1H-indol-3-yl)acetyl]piperidin-2-yl]-1,3-thiazole-5-carboxamide (PubChem CID 124946578) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is 2-[(2S)-1-[2-(1H-indol-3-yl)acetyl]piperidin-2-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[(2S)-1-[2-(1H-indol-3-yl)acetyl]piperidin-2-yl]-1,3-thiazole-5-carboxamide
PubChem CID124946578
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC Name2-[(2S)-1-[2-(1H-indol-3-yl)acetyl]piperidin-2-yl]-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1cnc([C@@H]2CCCCN2C(=O)Cc2c[nH]c3ccccc23)s1
InChIInChI=1S/C19H20N4O2S/c20-18(25)16-11-22-19(26-16)15-7-3-4-8-23(15)17(24)9-12-10-21-14-6-2-1-5-13(12)14/h1-2,5-6,10-11,15,21H,3-4,7-9H2,(H2,20,25)/t15-/m0/s1
InChIKeyBZEBLZJYJOWBKS-HNNXBMFYSA-N
XLogP3.02
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2R)-1-(2-pyridin-3-ylacetyl)pyrrolidin-2-yl]-1,3-thiazole-5-carboxamide
CID 125024121
2-(1H-indol-3-yl)-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]ethanone
CID 75475009
1-[(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 97017412
1-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-2-(1H-indol-3-yl)ethanone
CID 110806405
1-[2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 155985300
1-[2-(1H-imidazol-2-yl)piperidin-1-yl]-4-(1H-indol-3-yl)butan-1-one
CID 47089015
2-(1H-indol-3-yl)-1-[(2R)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone
CID 95779559
1-[(2R)-2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 124977676
1-[(2R)-2-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 95835239
1-[2-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 110265145
1-[2-(1H-indol-3-yl)acetyl]piperidine-3-carboxamide
CID 43397905
1-[4-(2-ethylpiperidine-1-carbonyl)piperidin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 113005765

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-[2-(1H-indol-3-yl)acetyl]piperidin-2-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[(2S)-1-[2-(1H-indol-3-yl)acetyl]piperidin-2-yl]-1,3-thiazole-5-carboxamide (CID 124946578) is 2-[(2S)-1-[2-(1H-indol-3-yl)acetyl]piperidin-2-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[(2S)-1-[2-(1H-indol-3-yl)acetyl]piperidin-2-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[(2S)-1-[2-(1H-indol-3-yl)acetyl]piperidin-2-yl]-1,3-thiazole-5-carboxamide is NC(=O)c1cnc([C@@H]2CCCCN2C(=O)Cc2c[nH]c3ccccc23)s1.
What is the InChIKey of 2-[(2S)-1-[2-(1H-indol-3-yl)acetyl]piperidin-2-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is BZEBLZJYJOWBKS-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c20-18(25)16-11-22-19(26-16)15-7-3-4-8-23(15)17(24)9-12-10-21-14-6-2-1-5-13(12)14/h1-2,5-6,10-11,15,21H,3-4,7-9H2,(H2,20,25)/t15-/m0/s1.
What are the key properties of 2-[(2S)-1-[2-(1H-indol-3-yl)acetyl]piperidin-2-yl]-1,3-thiazole-5-carboxamide?
2-[(2S)-1-[2-(1H-indol-3-yl)acetyl]piperidin-2-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 368.46 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-[2-(1H-indol-3-yl)acetyl]piperidin-2-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 124946578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).