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

C8H9N3OS — CID 115914406

IUPAC5-methyl-N-(1,3-thiazol-4-ylmethyl)-1,2-oxazol-3-amine
SMILESCc1cc(NCc2cscn2)no1
InChIInChI=1S/C8H9N3OS/c1-6-2-8(11-12-6)9-3-7-4-13-5-10-7/h2,4-5H,3H2,1H3,(H,9,11)
InChIKeyDJWYHUICXDHAEW-UHFFFAOYSA-N
MW195.25 g/mol
LogP2.05
Rot. Bonds3

About 5-methyl-N-(1,3-thiazol-4-ylmethyl)-1,2-oxazol-3-amine

5-methyl-N-(1,3-thiazol-4-ylmethyl)-1,2-oxazol-3-amine (PubChem CID 115914406) has the molecular formula C8H9N3OS and a molecular weight of 195.25 g/mol. Its IUPAC name is 5-methyl-N-(1,3-thiazol-4-ylmethyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-methyl-N-(1,3-thiazol-4-ylmethyl)-1,2-oxazol-3-amine
PubChem CID115914406
Molecular FormulaC8H9N3OS
Molecular Weight195.25 g/mol
Exact Mass195.05
IUPAC Name5-methyl-N-(1,3-thiazol-4-ylmethyl)-1,2-oxazol-3-amine
SMILESCc1cc(NCc2cscn2)no1
InChIInChI=1S/C8H9N3OS/c1-6-2-8(11-12-6)9-3-7-4-13-5-10-7/h2,4-5H,3H2,1H3,(H,9,11)
InChIKeyDJWYHUICXDHAEW-UHFFFAOYSA-N
XLogP2.05
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.25
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-propan-2-yl-N-(1,3-thiazol-4-ylmethyl)-1,2-oxazol-3-amine
CID 115925247
3,4-dimethyl-N-(1,3-thiazol-4-ylmethyl)-1,2-oxazol-5-amine
CID 130639832
N-(1,3-thiazol-4-ylmethyl)-1,2-oxazol-3-amine
CID 130621107
2-N,6-dimethyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-diamine
CID 80845473
2,5-dichloro-4-methyl-N-(1,3-thiazol-4-ylmethyl)aniline
CID 104726418
2-methyl-N-(1,3-thiazol-4-ylmethyl)propane-2-sulfinamide
CID 155213884
1-methyl-3-(1,3-thiazol-4-ylmethylamino)pyrazin-2-one
CID 63831167
2,4-dimethyl-N-(1,3-thiazol-4-ylmethyl)aniline
CID 60683495
5-methyl-N-(2-methylpropyl)-1,2-oxazol-3-amine
CID 59569080
2-ethyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine
CID 80934774
N-[(2-methylpropan-2-yl)oxy]-1-(1,3-thiazol-4-yl)methanamine
CID 82720392
6-methyl-N-(1,3-thiazol-4-ylmethyl)pyridin-3-amine
CID 81497978

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(1,3-thiazol-4-ylmethyl)-1,2-oxazol-3-amine?
The IUPAC name of 5-methyl-N-(1,3-thiazol-4-ylmethyl)-1,2-oxazol-3-amine (CID 115914406) is 5-methyl-N-(1,3-thiazol-4-ylmethyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-methyl-N-(1,3-thiazol-4-ylmethyl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-methyl-N-(1,3-thiazol-4-ylmethyl)-1,2-oxazol-3-amine is Cc1cc(NCc2cscn2)no1.
What is the InChIKey of 5-methyl-N-(1,3-thiazol-4-ylmethyl)-1,2-oxazol-3-amine?
The InChIKey is DJWYHUICXDHAEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3OS/c1-6-2-8(11-12-6)9-3-7-4-13-5-10-7/h2,4-5H,3H2,1H3,(H,9,11).
What are the key properties of 5-methyl-N-(1,3-thiazol-4-ylmethyl)-1,2-oxazol-3-amine?
5-methyl-N-(1,3-thiazol-4-ylmethyl)-1,2-oxazol-3-amine has a molecular weight of 195.25 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(1,3-thiazol-4-ylmethyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 115914406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).