N-(3-amino-2-hydroxy-3-oxopropyl)-4-methyl-1,3-thiazole-5-carboxamide

C8H11N3O3S — CID 107260883

IUPACN-(3-amino-2-hydroxy-3-oxopropyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)NCC(O)C(N)=O
InChIInChI=1S/C8H11N3O3S/c1-4-6(15-3-11-4)8(14)10-2-5(12)7(9)13/h3,5,12H,2H2,1H3,(H2,9,13)(H,10,14)
InChIKeySOFGWLDVOFKTDZ-UHFFFAOYSA-N
MW229.26 g/mol
LogP-0.97
Rot. Bonds4

About N-(3-amino-2-hydroxy-3-oxopropyl)-4-methyl-1,3-thiazole-5-carboxamide

N-(3-amino-2-hydroxy-3-oxopropyl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 107260883) has the molecular formula C8H11N3O3S and a molecular weight of 229.26 g/mol. Its IUPAC name is N-(3-amino-2-hydroxy-3-oxopropyl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2-hydroxy-3-oxopropyl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID107260883
Molecular FormulaC8H11N3O3S
Molecular Weight229.26 g/mol
Exact Mass229.05
IUPAC NameN-(3-amino-2-hydroxy-3-oxopropyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)NCC(O)C(N)=O
InChIInChI=1S/C8H11N3O3S/c1-4-6(15-3-11-4)8(14)10-2-5(12)7(9)13/h3,5,12H,2H2,1H3,(H2,9,13)(H,10,14)
InChIKeySOFGWLDVOFKTDZ-UHFFFAOYSA-N
XLogP-0.97
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 5-0.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-hydroxy-3-oxopropyl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(3-amino-2-hydroxy-3-oxopropyl)-4-methyl-1,3-thiazole-5-carboxamide (CID 107260883) is N-(3-amino-2-hydroxy-3-oxopropyl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(3-amino-2-hydroxy-3-oxopropyl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(3-amino-2-hydroxy-3-oxopropyl)-4-methyl-1,3-thiazole-5-carboxamide is Cc1ncsc1C(=O)NCC(O)C(N)=O.
What is the InChIKey of N-(3-amino-2-hydroxy-3-oxopropyl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is SOFGWLDVOFKTDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3S/c1-4-6(15-3-11-4)8(14)10-2-5(12)7(9)13/h3,5,12H,2H2,1H3,(H2,9,13)(H,10,14).
What are the key properties of N-(3-amino-2-hydroxy-3-oxopropyl)-4-methyl-1,3-thiazole-5-carboxamide?
N-(3-amino-2-hydroxy-3-oxopropyl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 229.26 g/mol, XLogP of -0.97, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-hydroxy-3-oxopropyl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 107260883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).