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

C11H12N4OS — CID 114180969

IUPAC5-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-3-methyl-1,2-thiazole-4-carbonitrile
SMILESCCc1cnc(CNc2snc(C)c2C#N)o1
InChIInChI=1S/C11H12N4OS/c1-3-8-5-13-10(16-8)6-14-11-9(4-12)7(2)15-17-11/h5,14H,3,6H2,1-2H3
InChIKeyXRRYVMKQSJTPQI-UHFFFAOYSA-N
MW248.31 g/mol
LogP2.49
Rot. Bonds4

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

5-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-3-methyl-1,2-thiazole-4-carbonitrile (PubChem CID 114180969) has the molecular formula C11H12N4OS and a molecular weight of 248.31 g/mol. Its IUPAC name is 5-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-3-methyl-1,2-thiazole-4-carbonitrile.

Molecular Properties

Compound Name5-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-3-methyl-1,2-thiazole-4-carbonitrile
PubChem CID114180969
Molecular FormulaC11H12N4OS
Molecular Weight248.31 g/mol
Exact Mass248.07
IUPAC Name5-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-3-methyl-1,2-thiazole-4-carbonitrile
SMILESCCc1cnc(CNc2snc(C)c2C#N)o1
InChIInChI=1S/C11H12N4OS/c1-3-8-5-13-10(16-8)6-14-11-9(4-12)7(2)15-17-11/h5,14H,3,6H2,1-2H3
InChIKeyXRRYVMKQSJTPQI-UHFFFAOYSA-N
XLogP2.49
TPSA74.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-5-(1,2-oxazol-3-ylmethylamino)-1,2-thiazole-4-carbonitrile
CID 81173430
2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]benzonitrile
CID 106371995
4-chloro-2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-1,3-thiazole-5-carbonitrile
CID 106373504
5-(2,2-dimethylpropylamino)-3-methyl-1,2-thiazole-4-carbonitrile
CID 79375791
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methylpropan-2-amine
CID 65184221
2-chloro-4-[(5-ethyl-1,3-oxazol-2-yl)methylamino]benzonitrile
CID 103764561
5-[(3-cyanophenyl)methylamino]-3-methyl-1,2-thiazole-4-carbonitrile
CID 79375380
5-[(2-hydroxy-2-methylpropyl)amino]-3-methyl-1,2-thiazole-4-carbonitrile
CID 130964806
4-[[(5-ethyl-1,3-oxazol-2-yl)methylamino]methyl]benzonitrile
CID 104969494
3-methyl-5-(2-thiophen-2-ylethylamino)-1,2-thiazole-4-carbonitrile
CID 79375455
3-methyl-5-(2-pyridin-2-ylethylamino)-1,2-thiazole-4-carbonitrile
CID 79376309
3-methyl-5-[1-(5-methylthiophen-2-yl)propan-2-ylamino]-1,2-thiazole-4-carbonitrile
CID 79375802

Frequently Asked Questions

What is the IUPAC name of 5-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-3-methyl-1,2-thiazole-4-carbonitrile?
The IUPAC name of 5-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-3-methyl-1,2-thiazole-4-carbonitrile (CID 114180969) is 5-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-3-methyl-1,2-thiazole-4-carbonitrile.
What is the SMILES notation for 5-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-3-methyl-1,2-thiazole-4-carbonitrile?
The canonical SMILES for 5-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-3-methyl-1,2-thiazole-4-carbonitrile is CCc1cnc(CNc2snc(C)c2C#N)o1.
What is the InChIKey of 5-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-3-methyl-1,2-thiazole-4-carbonitrile?
The InChIKey is XRRYVMKQSJTPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4OS/c1-3-8-5-13-10(16-8)6-14-11-9(4-12)7(2)15-17-11/h5,14H,3,6H2,1-2H3.
What are the key properties of 5-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-3-methyl-1,2-thiazole-4-carbonitrile?
5-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-3-methyl-1,2-thiazole-4-carbonitrile has a molecular weight of 248.31 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-3-methyl-1,2-thiazole-4-carbonitrile is sourced from PubChem (CID 114180969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).