N-(3-amino-2-hydroxy-3-oxopropyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide

C11H11N3O3S2 — CID 107260979

IUPACN-(3-amino-2-hydroxy-3-oxopropyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
SMILESNC(=O)C(O)CNC(=O)c1csc(-c2cccs2)n1
InChIInChI=1S/C11H11N3O3S2/c12-9(16)7(15)4-13-10(17)6-5-19-11(14-6)8-2-1-3-18-8/h1-3,5,7,15H,4H2,(H2,12,16)(H,13,17)
InChIKeyFRUOZOSMCQPSMN-UHFFFAOYSA-N
MW297.36 g/mol
LogP0.45
Rot. Bonds5

About N-(3-amino-2-hydroxy-3-oxopropyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide

N-(3-amino-2-hydroxy-3-oxopropyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 107260979) has the molecular formula C11H11N3O3S2 and a molecular weight of 297.36 g/mol. Its IUPAC name is N-(3-amino-2-hydroxy-3-oxopropyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2-hydroxy-3-oxopropyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
PubChem CID107260979
Molecular FormulaC11H11N3O3S2
Molecular Weight297.36 g/mol
Exact Mass297.02
IUPAC NameN-(3-amino-2-hydroxy-3-oxopropyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
SMILESNC(=O)C(O)CNC(=O)c1csc(-c2cccs2)n1
InChIInChI=1S/C11H11N3O3S2/c12-9(16)7(15)4-13-10(17)6-5-19-11(14-6)8-2-1-3-18-8/h1-3,5,7,15H,4H2,(H2,12,16)(H,13,17)
InChIKeyFRUOZOSMCQPSMN-UHFFFAOYSA-N
XLogP0.45
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-amino-2-methylpropyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119630453
N-[(2R)-2-(furan-2-ylmethyl)-3-hydroxypropyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 96578149
N-(2-benzamidoethyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 55536744
(2S)-3-hydroxy-2-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]propanoic acid
CID 61151765
N-[(3-carbamoylphenyl)methyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 32637038
2-thiophen-2-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 78813569
N-[(2-methylpropan-2-yl)oxy]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 82723620
2-(1-aminoethyl)-N-(3-amino-2-hydroxy-3-oxopropyl)-1,3-thiazole-4-carboxamide
CID 106175806
(2S)-2-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]butanedioic acid
CID 112733132
2-thiophen-2-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120811834
ethyl 4-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]butanoate
CID 37258646
N-(2-methylbutan-2-yl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 46554707

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-hydroxy-3-oxopropyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(3-amino-2-hydroxy-3-oxopropyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide (CID 107260979) is N-(3-amino-2-hydroxy-3-oxopropyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(3-amino-2-hydroxy-3-oxopropyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(3-amino-2-hydroxy-3-oxopropyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide is NC(=O)C(O)CNC(=O)c1csc(-c2cccs2)n1.
What is the InChIKey of N-(3-amino-2-hydroxy-3-oxopropyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is FRUOZOSMCQPSMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3S2/c12-9(16)7(15)4-13-10(17)6-5-19-11(14-6)8-2-1-3-18-8/h1-3,5,7,15H,4H2,(H2,12,16)(H,13,17).
What are the key properties of N-(3-amino-2-hydroxy-3-oxopropyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
N-(3-amino-2-hydroxy-3-oxopropyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 297.36 g/mol, XLogP of 0.45, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-hydroxy-3-oxopropyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 107260979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).