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

C10H13N3OS — CID 115925247

IUPAC5-propan-2-yl-N-(1,3-thiazol-4-ylmethyl)-1,2-oxazol-3-amine
SMILESCC(C)c1cc(NCc2cscn2)no1
InChIInChI=1S/C10H13N3OS/c1-7(2)9-3-10(13-14-9)11-4-8-5-15-6-12-8/h3,5-7H,4H2,1-2H3,(H,11,13)
InChIKeyYQLRNWKHJYPEJL-UHFFFAOYSA-N
MW223.30 g/mol
LogP2.87
Rot. Bonds4

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

5-propan-2-yl-N-(1,3-thiazol-4-ylmethyl)-1,2-oxazol-3-amine (PubChem CID 115925247) has the molecular formula C10H13N3OS and a molecular weight of 223.30 g/mol. Its IUPAC name is 5-propan-2-yl-N-(1,3-thiazol-4-ylmethyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-propan-2-yl-N-(1,3-thiazol-4-ylmethyl)-1,2-oxazol-3-amine
PubChem CID115925247
Molecular FormulaC10H13N3OS
Molecular Weight223.30 g/mol
Exact Mass223.08
IUPAC Name5-propan-2-yl-N-(1,3-thiazol-4-ylmethyl)-1,2-oxazol-3-amine
SMILESCC(C)c1cc(NCc2cscn2)no1
InChIInChI=1S/C10H13N3OS/c1-7(2)9-3-10(13-14-9)11-4-8-5-15-6-12-8/h3,5-7H,4H2,1-2H3,(H,11,13)
InChIKeyYQLRNWKHJYPEJL-UHFFFAOYSA-N
XLogP2.87
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 52.87
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
N-(1,3-thiazol-4-ylmethyl)-1,2-oxazol-3-amine
CID 130621107
3,4-dimethyl-N-(1,3-thiazol-4-ylmethyl)-1,2-oxazol-5-amine
CID 130639832
2-methyl-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 62185365
5-methyl-2-N-(1,3-thiazol-4-ylmethyl)pyridine-2,4-diamine
CID 83265932
6-N-ethyl-2-propyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine
CID 80949872
2-N,6-dimethyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-diamine
CID 80845473
N-[(3R,4R)-3-hydroxy-1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 118786054
2-ethyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine
CID 80934774
2,5-dichloro-4-methyl-N-(1,3-thiazol-4-ylmethyl)aniline
CID 104726418
N-[(5-chlorofuran-2-yl)methyl]-5-propan-2-yl-1,2-oxazol-3-amine
CID 115910595
1-cyclopropyl-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 60696131

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-N-(1,3-thiazol-4-ylmethyl)-1,2-oxazol-3-amine?
The IUPAC name of 5-propan-2-yl-N-(1,3-thiazol-4-ylmethyl)-1,2-oxazol-3-amine (CID 115925247) is 5-propan-2-yl-N-(1,3-thiazol-4-ylmethyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-propan-2-yl-N-(1,3-thiazol-4-ylmethyl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-propan-2-yl-N-(1,3-thiazol-4-ylmethyl)-1,2-oxazol-3-amine is CC(C)c1cc(NCc2cscn2)no1.
What is the InChIKey of 5-propan-2-yl-N-(1,3-thiazol-4-ylmethyl)-1,2-oxazol-3-amine?
The InChIKey is YQLRNWKHJYPEJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3OS/c1-7(2)9-3-10(13-14-9)11-4-8-5-15-6-12-8/h3,5-7H,4H2,1-2H3,(H,11,13).
What are the key properties of 5-propan-2-yl-N-(1,3-thiazol-4-ylmethyl)-1,2-oxazol-3-amine?
5-propan-2-yl-N-(1,3-thiazol-4-ylmethyl)-1,2-oxazol-3-amine has a molecular weight of 223.30 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-N-(1,3-thiazol-4-ylmethyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 115925247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).