2-(aminomethyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazole-4-carboxamide

C13H12N4O3S — CID 66376900

IUPAC2-(aminomethyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazole-4-carboxamide
SMILESNCc1nc(C(=O)Nc2ccc3c(c2)NC(=O)CO3)cs1
InChIInChI=1S/C13H12N4O3S/c14-4-12-17-9(6-21-12)13(19)15-7-1-2-10-8(3-7)16-11(18)5-20-10/h1-3,6H,4-5,14H2,(H,15,19)(H,16,18)
InChIKeyADWHRWWZTIVFPF-UHFFFAOYSA-N
MW304.33 g/mol
LogP1.18
Rot. Bonds3

About 2-(aminomethyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazole-4-carboxamide

2-(aminomethyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazole-4-carboxamide (PubChem CID 66376900) has the molecular formula C13H12N4O3S and a molecular weight of 304.33 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazole-4-carboxamide
PubChem CID66376900
Molecular FormulaC13H12N4O3S
Molecular Weight304.33 g/mol
Exact Mass304.06
IUPAC Name2-(aminomethyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazole-4-carboxamide
SMILESNCc1nc(C(=O)Nc2ccc3c(c2)NC(=O)CO3)cs1
InChIInChI=1S/C13H12N4O3S/c14-4-12-17-9(6-21-12)13(19)15-7-1-2-10-8(3-7)16-11(18)5-20-10/h1-3,6H,4-5,14H2,(H,15,19)(H,16,18)
InChIKeyADWHRWWZTIVFPF-UHFFFAOYSA-N
XLogP1.18
TPSA106.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazole-4-carboxamide
CID 55133554
N-(3-oxo-4H-1,4-benzoxazin-6-yl)pyridine-2-carboxamide
CID 51153474
N-(3-oxo-4H-1,4-benzoxazin-6-yl)-5-sulfamoylthiophene-3-carboxamide
CID 55462745
5-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,2-oxazole-3-carboxamide
CID 35528644
N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1-benzofuran-2-carboxamide
CID 51153472
5-(4-chlorophenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,2-oxazole-3-carboxamide
CID 33125130
N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1H-pyrazole-5-carboxamide
CID 47177463
5-(furan-2-yl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,2-oxazole-3-carboxamide
CID 24666517
2-(aminomethyl)-N-(3-bromo-4-iodophenyl)-1,3-thiazole-4-carboxamide
CID 113266598
3,3-dimethyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide
CID 24654705
4-amino-3-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide
CID 81087224
2-amino-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pentanamide
CID 61250377

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazole-4-carboxamide (CID 66376900) is 2-(aminomethyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazole-4-carboxamide is NCc1nc(C(=O)Nc2ccc3c(c2)NC(=O)CO3)cs1.
What is the InChIKey of 2-(aminomethyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is ADWHRWWZTIVFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O3S/c14-4-12-17-9(6-21-12)13(19)15-7-1-2-10-8(3-7)16-11(18)5-20-10/h1-3,6H,4-5,14H2,(H,15,19)(H,16,18).
What are the key properties of 2-(aminomethyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazole-4-carboxamide?
2-(aminomethyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 304.33 g/mol, XLogP of 1.18, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 66376900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).