5-amino-2-(3-ethynylphenyl)-1,3-thiazole-4-carboxamide;ethane;3-hydroxy-1-methylpyrrolidin-2-one

C19H24N4O3S — CID 145143255

IUPAC5-amino-2-(3-ethynylphenyl)-1,3-thiazole-4-carboxamide;ethane;3-hydroxy-1-methylpyrrolidin-2-one
SMILESC#Cc1cccc(-c2nc(C(N)=O)c(N)s2)c1.CC.CN1CCC(O)C1=O
InChIInChI=1S/C12H9N3OS.C5H9NO2.C2H6/c1-2-7-4-3-5-8(6-7)12-15-9(10(13)16)11(14)17-12;1-6-3-2-4(7)5(6)8;1-2/h1,3-6H,14H2,(H2,13,16);4,7H,2-3H2,1H3;1-2H3
InChIKeyQBTFZZTVMWZFKV-UHFFFAOYSA-N
MW388.49 g/mol
LogP1.71
Rot. Bonds2

About 5-amino-2-(3-ethynylphenyl)-1,3-thiazole-4-carboxamide;ethane;3-hydroxy-1-methylpyrrolidin-2-one

5-amino-2-(3-ethynylphenyl)-1,3-thiazole-4-carboxamide;ethane;3-hydroxy-1-methylpyrrolidin-2-one (PubChem CID 145143255) has the molecular formula C19H24N4O3S and a molecular weight of 388.49 g/mol. Its IUPAC name is 5-amino-2-(3-ethynylphenyl)-1,3-thiazole-4-carboxamide;ethane;3-hydroxy-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name5-amino-2-(3-ethynylphenyl)-1,3-thiazole-4-carboxamide;ethane;3-hydroxy-1-methylpyrrolidin-2-one
PubChem CID145143255
Molecular FormulaC19H24N4O3S
Molecular Weight388.49 g/mol
Exact Mass388.16
IUPAC Name5-amino-2-(3-ethynylphenyl)-1,3-thiazole-4-carboxamide;ethane;3-hydroxy-1-methylpyrrolidin-2-one
SMILESC#Cc1cccc(-c2nc(C(N)=O)c(N)s2)c1.CC.CN1CCC(O)C1=O
InChIInChI=1S/C12H9N3OS.C5H9NO2.C2H6/c1-2-7-4-3-5-8(6-7)12-15-9(10(13)16)11(14)17-12;1-6-3-2-4(7)5(6)8;1-2/h1,3-6H,14H2,(H2,13,16);4,7H,2-3H2,1H3;1-2H3
InChIKeyQBTFZZTVMWZFKV-UHFFFAOYSA-N
XLogP1.71
TPSA122.54 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-(3-ethynylphenyl)-5-(methanesulfonamido)-1,3-thiazole-4-carboxamide;3-hydroxy-1-methylpyrrolidin-2-one
CID 145143406
5-(dimethylcarbamoylamino)-2-(3-ethynylphenyl)-1,3-thiazole-4-carboxamide;(3S)-3-hydroxy-1-methylpyrrolidin-2-one
CID 145143227
2-(3-ethynylphenyl)-5-(oxetan-3-ylamino)-1,3-thiazole-4-carboxamide;(3S)-3-hydroxy-1-methylpyrrolidin-2-one
CID 145143403
5-amino-2-(3-ethynylphenyl)-1,3-thiazole-4-carboxamide;4-hydroxy-2-methyl-2-azabicyclo[3.1.0]hexan-3-one
CID 142292306
acetylene;4-amino-1-(3-ethynylphenyl)pyrazole-3-carboxamide;(3S)-3-hydroxy-1-methylpyrrolidin-2-one
CID 145143343
6-(3-ethynylphenyl)-4-pyrimidin-2-ylpyridine-2-carboxamide;3-hydroxy-1-methylpyrrolidin-2-one
CID 144793987
3-(3-ethynylphenyl)indazole-1-carboxamide;3-hydroxy-1-methylpyrrolidin-2-one
CID 144793213
5-amino-2-[3-[3-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)prop-1-ynyl]phenyl]-1,3-thiazole-4-carboxamide
CID 123732109
ethane;(3-ethynylphenyl)-difluoroborane;3-hydroxy-1-methylpyrrolidin-2-one;methanol
CID 144793981
4-acetamido-1-(3-ethynylphenyl)pyrazole-3-carboxamide;3-hydroxy-1-methylpyrrolidin-2-one
CID 145143357
4-acetamido-1-(3-ethynylphenyl)pyrazole-3-carboxamide;(3S)-3-hydroxy-1-methylpyrrolidin-2-one
CID 145143114
acetylene;1-(3-ethynylphenyl)-4-(methylamino)pyrazole-3-carboxamide;(3S)-3-hydroxy-1-methylpyrrolidin-2-one
CID 145143188

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(3-ethynylphenyl)-1,3-thiazole-4-carboxamide;ethane;3-hydroxy-1-methylpyrrolidin-2-one?
The IUPAC name of 5-amino-2-(3-ethynylphenyl)-1,3-thiazole-4-carboxamide;ethane;3-hydroxy-1-methylpyrrolidin-2-one (CID 145143255) is 5-amino-2-(3-ethynylphenyl)-1,3-thiazole-4-carboxamide;ethane;3-hydroxy-1-methylpyrrolidin-2-one.
What is the SMILES notation for 5-amino-2-(3-ethynylphenyl)-1,3-thiazole-4-carboxamide;ethane;3-hydroxy-1-methylpyrrolidin-2-one?
The canonical SMILES for 5-amino-2-(3-ethynylphenyl)-1,3-thiazole-4-carboxamide;ethane;3-hydroxy-1-methylpyrrolidin-2-one is C#Cc1cccc(-c2nc(C(N)=O)c(N)s2)c1.CC.CN1CCC(O)C1=O.
What is the InChIKey of 5-amino-2-(3-ethynylphenyl)-1,3-thiazole-4-carboxamide;ethane;3-hydroxy-1-methylpyrrolidin-2-one?
The InChIKey is QBTFZZTVMWZFKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3OS.C5H9NO2.C2H6/c1-2-7-4-3-5-8(6-7)12-15-9(10(13)16)11(14)17-12;1-6-3-2-4(7)5(6)8;1-2/h1,3-6H,14H2,(H2,13,16);4,7H,2-3H2,1H3;1-2H3.
What are the key properties of 5-amino-2-(3-ethynylphenyl)-1,3-thiazole-4-carboxamide;ethane;3-hydroxy-1-methylpyrrolidin-2-one?
5-amino-2-(3-ethynylphenyl)-1,3-thiazole-4-carboxamide;ethane;3-hydroxy-1-methylpyrrolidin-2-one has a molecular weight of 388.49 g/mol, XLogP of 1.71, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(3-ethynylphenyl)-1,3-thiazole-4-carboxamide;ethane;3-hydroxy-1-methylpyrrolidin-2-one is sourced from PubChem (CID 145143255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).