N-[4-(aminomethyl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide

C8H8N4O2S — CID 56649138

IUPACN-[4-(aminomethyl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide
SMILESNCc1csc(NC(=O)c2ccon2)n1
InChIInChI=1S/C8H8N4O2S/c9-3-5-4-15-8(10-5)11-7(13)6-1-2-14-12-6/h1-2,4H,3,9H2,(H,10,11,13)
InChIKeyMMGISVMNCYFAQS-UHFFFAOYSA-N
MW224.25 g/mol
LogP0.84
Rot. Bonds3

About N-[4-(aminomethyl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide

N-[4-(aminomethyl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide (PubChem CID 56649138) has the molecular formula C8H8N4O2S and a molecular weight of 224.25 g/mol. Its IUPAC name is N-[4-(aminomethyl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide
PubChem CID56649138
Molecular FormulaC8H8N4O2S
Molecular Weight224.25 g/mol
Exact Mass224.04
IUPAC NameN-[4-(aminomethyl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide
SMILESNCc1csc(NC(=O)c2ccon2)n1
InChIInChI=1S/C8H8N4O2S/c9-3-5-4-15-8(10-5)11-7(13)6-1-2-14-12-6/h1-2,4H,3,9H2,(H,10,11,13)
InChIKeyMMGISVMNCYFAQS-UHFFFAOYSA-N
XLogP0.84
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.25
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[4-(aminomethyl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide (CID 56649138) is N-[4-(aminomethyl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[4-(aminomethyl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[4-(aminomethyl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide is NCc1csc(NC(=O)c2ccon2)n1.
What is the InChIKey of N-[4-(aminomethyl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is MMGISVMNCYFAQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O2S/c9-3-5-4-15-8(10-5)11-7(13)6-1-2-14-12-6/h1-2,4H,3,9H2,(H,10,11,13).
What are the key properties of N-[4-(aminomethyl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide?
N-[4-(aminomethyl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 224.25 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 56649138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).