3-methyl-5-[(3-methyl-1,2-oxazol-5-yl)methylamino]-1,2-thiazole-4-carbonitrile

C10H10N4OS — CID 79376153

IUPAC3-methyl-5-[(3-methyl-1,2-oxazol-5-yl)methylamino]-1,2-thiazole-4-carbonitrile
SMILESCc1cc(CNc2snc(C)c2C#N)on1
InChIInChI=1S/C10H10N4OS/c1-6-3-8(15-13-6)5-12-10-9(4-11)7(2)14-16-10/h3,12H,5H2,1-2H3
InChIKeyDQMVBVCOKYCKDY-UHFFFAOYSA-N
MW234.28 g/mol
LogP2.23
Rot. Bonds3

About 3-methyl-5-[(3-methyl-1,2-oxazol-5-yl)methylamino]-1,2-thiazole-4-carbonitrile

3-methyl-5-[(3-methyl-1,2-oxazol-5-yl)methylamino]-1,2-thiazole-4-carbonitrile (PubChem CID 79376153) has the molecular formula C10H10N4OS and a molecular weight of 234.28 g/mol. Its IUPAC name is 3-methyl-5-[(3-methyl-1,2-oxazol-5-yl)methylamino]-1,2-thiazole-4-carbonitrile.

Molecular Properties

Compound Name3-methyl-5-[(3-methyl-1,2-oxazol-5-yl)methylamino]-1,2-thiazole-4-carbonitrile
PubChem CID79376153
Molecular FormulaC10H10N4OS
Molecular Weight234.28 g/mol
Exact Mass234.06
IUPAC Name3-methyl-5-[(3-methyl-1,2-oxazol-5-yl)methylamino]-1,2-thiazole-4-carbonitrile
SMILESCc1cc(CNc2snc(C)c2C#N)on1
InChIInChI=1S/C10H10N4OS/c1-6-3-8(15-13-6)5-12-10-9(4-11)7(2)14-16-10/h3,12H,5H2,1-2H3
InChIKeyDQMVBVCOKYCKDY-UHFFFAOYSA-N
XLogP2.23
TPSA74.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-methyl-5-[(3-methyl-1,2-oxazol-5-yl)methylamino]-1,2-thiazole-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(3-methyl-1,2-oxazol-5-yl)methylamino]-1,2-thiazole-4-carbonitrile?
The IUPAC name of 3-methyl-5-[(3-methyl-1,2-oxazol-5-yl)methylamino]-1,2-thiazole-4-carbonitrile (CID 79376153) is 3-methyl-5-[(3-methyl-1,2-oxazol-5-yl)methylamino]-1,2-thiazole-4-carbonitrile.
What is the SMILES notation for 3-methyl-5-[(3-methyl-1,2-oxazol-5-yl)methylamino]-1,2-thiazole-4-carbonitrile?
The canonical SMILES for 3-methyl-5-[(3-methyl-1,2-oxazol-5-yl)methylamino]-1,2-thiazole-4-carbonitrile is Cc1cc(CNc2snc(C)c2C#N)on1.
What is the InChIKey of 3-methyl-5-[(3-methyl-1,2-oxazol-5-yl)methylamino]-1,2-thiazole-4-carbonitrile?
The InChIKey is DQMVBVCOKYCKDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4OS/c1-6-3-8(15-13-6)5-12-10-9(4-11)7(2)14-16-10/h3,12H,5H2,1-2H3.
What are the key properties of 3-methyl-5-[(3-methyl-1,2-oxazol-5-yl)methylamino]-1,2-thiazole-4-carbonitrile?
3-methyl-5-[(3-methyl-1,2-oxazol-5-yl)methylamino]-1,2-thiazole-4-carbonitrile has a molecular weight of 234.28 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(3-methyl-1,2-oxazol-5-yl)methylamino]-1,2-thiazole-4-carbonitrile is sourced from PubChem (CID 79376153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).