2-(aminomethyl)-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]-1,3-thiazole-4-carboxamide

C8H10N4O3S — CID 79524099

IUPAC2-(aminomethyl)-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]-1,3-thiazole-4-carboxamide
SMILESNCc1nc(C(=O)N[C@@H]2CONC2=O)cs1
InChIInChI=1S/C8H10N4O3S/c9-1-6-10-5(3-16-6)7(13)11-4-2-15-12-8(4)14/h3-4H,1-2,9H2,(H,11,13)(H,12,14)/t4-/m1/s1
InChIKeyWWPWTECYQYTJNX-SCSAIBSYSA-N
MW242.26 g/mol
LogP-1.24
Rot. Bonds3

About 2-(aminomethyl)-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]-1,3-thiazole-4-carboxamide

2-(aminomethyl)-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]-1,3-thiazole-4-carboxamide (PubChem CID 79524099) has the molecular formula C8H10N4O3S and a molecular weight of 242.26 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]-1,3-thiazole-4-carboxamide
PubChem CID79524099
Molecular FormulaC8H10N4O3S
Molecular Weight242.26 g/mol
Exact Mass242.05
IUPAC Name2-(aminomethyl)-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]-1,3-thiazole-4-carboxamide
SMILESNCc1nc(C(=O)N[C@@H]2CONC2=O)cs1
InChIInChI=1S/C8H10N4O3S/c9-1-6-10-5(3-16-6)7(13)11-4-2-15-12-8(4)14/h3-4H,1-2,9H2,(H,11,13)(H,12,14)/t4-/m1/s1
InChIKeyWWPWTECYQYTJNX-SCSAIBSYSA-N
XLogP-1.24
TPSA106.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.26
LogP ≤ 5-1.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]-1,3-thiazole-4-carboxamide (CID 79524099) is 2-(aminomethyl)-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]-1,3-thiazole-4-carboxamide is NCc1nc(C(=O)N[C@@H]2CONC2=O)cs1.
What is the InChIKey of 2-(aminomethyl)-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is WWPWTECYQYTJNX-SCSAIBSYSA-N. The full InChI is InChI=1S/C8H10N4O3S/c9-1-6-10-5(3-16-6)7(13)11-4-2-15-12-8(4)14/h3-4H,1-2,9H2,(H,11,13)(H,12,14)/t4-/m1/s1.
What are the key properties of 2-(aminomethyl)-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]-1,3-thiazole-4-carboxamide?
2-(aminomethyl)-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 242.26 g/mol, XLogP of -1.24, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 79524099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).