3-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyrazine-2-carbonitrile

C11H11N5S — CID 62866188

IUPAC3-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyrazine-2-carbonitrile
SMILESCc1csc(CCNc2nccnc2C#N)n1
InChIInChI=1S/C11H11N5S/c1-8-7-17-10(16-8)2-3-14-11-9(6-12)13-4-5-15-11/h4-5,7H,2-3H2,1H3,(H,14,15)
InChIKeyMQBXFHZYVOXFKU-UHFFFAOYSA-N
MW245.31 g/mol
LogP1.77
Rot. Bonds4

About 3-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyrazine-2-carbonitrile

3-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyrazine-2-carbonitrile (PubChem CID 62866188) has the molecular formula C11H11N5S and a molecular weight of 245.31 g/mol. Its IUPAC name is 3-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyrazine-2-carbonitrile
PubChem CID62866188
Molecular FormulaC11H11N5S
Molecular Weight245.31 g/mol
Exact Mass245.07
IUPAC Name3-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyrazine-2-carbonitrile
SMILESCc1csc(CCNc2nccnc2C#N)n1
InChIInChI=1S/C11H11N5S/c1-8-7-17-10(16-8)2-3-14-11-9(6-12)13-4-5-15-11/h4-5,7H,2-3H2,1H3,(H,14,15)
InChIKeyMQBXFHZYVOXFKU-UHFFFAOYSA-N
XLogP1.77
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.31
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methoxy-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridin-2-amine
CID 113370918
3-[2-(2,4,6-trimethylphenyl)ethylamino]pyrazine-2-carbonitrile
CID 133283692
3-[2-(methylamino)ethylamino]pyrazine-2-carbonitrile
CID 62674136
6-chloro-5-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine
CID 63729718
3-[(2-methyl-1,3-thiazol-4-yl)methylamino]pyrazine-2-carbonitrile
CID 62672892
1,4-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazol-2-amine
CID 106571807
2,5-dichloro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine
CID 79632210
3,5-dichloro-2-N-ethyl-6-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-2,6-diamine
CID 102758195
5-chloro-2-N-methyl-4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine
CID 80828020
3-(2-pyridin-4-ylethylamino)pyrazine-2-carbonitrile
CID 62671465
6-N-methyl-4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-5-propylpyrimidine-4,6-diamine
CID 80828380
5-bromo-3-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridin-2-amine
CID 79717686

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyrazine-2-carbonitrile?
The IUPAC name of 3-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyrazine-2-carbonitrile (CID 62866188) is 3-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyrazine-2-carbonitrile is Cc1csc(CCNc2nccnc2C#N)n1.
What is the InChIKey of 3-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyrazine-2-carbonitrile?
The InChIKey is MQBXFHZYVOXFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5S/c1-8-7-17-10(16-8)2-3-14-11-9(6-12)13-4-5-15-11/h4-5,7H,2-3H2,1H3,(H,14,15).
What are the key properties of 3-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyrazine-2-carbonitrile?
3-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyrazine-2-carbonitrile has a molecular weight of 245.31 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyrazine-2-carbonitrile is sourced from PubChem (CID 62866188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).