N-(1,3-thiazol-4-ylmethyl)-1,2-oxazol-3-amine

C7H7N3OS — CID 130621107

IUPACN-(1,3-thiazol-4-ylmethyl)-1,2-oxazol-3-amine
SMILESc1cc(NCc2cscn2)no1
InChIInChI=1S/C7H7N3OS/c1-2-11-10-7(1)8-3-6-4-12-5-9-6/h1-2,4-5H,3H2,(H,8,10)
InChIKeyJTZADBRQENHZTH-UHFFFAOYSA-N
MW181.22 g/mol
LogP1.74
Rot. Bonds3

About N-(1,3-thiazol-4-ylmethyl)-1,2-oxazol-3-amine

N-(1,3-thiazol-4-ylmethyl)-1,2-oxazol-3-amine (PubChem CID 130621107) has the molecular formula C7H7N3OS and a molecular weight of 181.22 g/mol. Its IUPAC name is N-(1,3-thiazol-4-ylmethyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound NameN-(1,3-thiazol-4-ylmethyl)-1,2-oxazol-3-amine
PubChem CID130621107
Molecular FormulaC7H7N3OS
Molecular Weight181.22 g/mol
Exact Mass181.03
IUPAC NameN-(1,3-thiazol-4-ylmethyl)-1,2-oxazol-3-amine
SMILESc1cc(NCc2cscn2)no1
InChIInChI=1S/C7H7N3OS/c1-2-11-10-7(1)8-3-6-4-12-5-9-6/h1-2,4-5H,3H2,(H,8,10)
InChIKeyJTZADBRQENHZTH-UHFFFAOYSA-N
XLogP1.74
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.22
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-N-(1,3-thiazol-4-ylmethyl)-1,2-oxazol-3-amine
CID 115914406
5-propan-2-yl-N-(1,3-thiazol-4-ylmethyl)-1,2-oxazol-3-amine
CID 115925247
2-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-diamine
CID 80845296
N-(1,3-thiazol-4-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine
CID 62313093
6-N-ethyl-2-propyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine
CID 80949872
3,4-dimethyl-N-(1,3-thiazol-4-ylmethyl)-1,2-oxazol-5-amine
CID 130639832
N-[(5-bromothiophen-2-yl)methyl]-1,2-oxazol-3-amine
CID 130611411
6-N-methyl-2-phenyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine
CID 115915607
N-(2-methylpropyl)-1,2-oxazol-3-amine
CID 59531410
6-methyl-N-(1,3-thiazol-4-ylmethyl)pyridin-3-amine
CID 81497978
N-(1,2,4-oxadiazol-3-ylmethyl)-1-(1,3-thiazol-4-yl)methanamine
CID 106393813
N-[(4-bromophenyl)methyl]-1,2-oxazol-3-amine
CID 83312160

Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-4-ylmethyl)-1,2-oxazol-3-amine?
The IUPAC name of N-(1,3-thiazol-4-ylmethyl)-1,2-oxazol-3-amine (CID 130621107) is N-(1,3-thiazol-4-ylmethyl)-1,2-oxazol-3-amine.
What is the SMILES notation for N-(1,3-thiazol-4-ylmethyl)-1,2-oxazol-3-amine?
The canonical SMILES for N-(1,3-thiazol-4-ylmethyl)-1,2-oxazol-3-amine is c1cc(NCc2cscn2)no1.
What is the InChIKey of N-(1,3-thiazol-4-ylmethyl)-1,2-oxazol-3-amine?
The InChIKey is JTZADBRQENHZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3OS/c1-2-11-10-7(1)8-3-6-4-12-5-9-6/h1-2,4-5H,3H2,(H,8,10).
What are the key properties of N-(1,3-thiazol-4-ylmethyl)-1,2-oxazol-3-amine?
N-(1,3-thiazol-4-ylmethyl)-1,2-oxazol-3-amine has a molecular weight of 181.22 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-4-ylmethyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 130621107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).