6-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]pyridine-2-carbonitrile

C12H12N4S — CID 64594711

IUPAC6-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]pyridine-2-carbonitrile
SMILESCCc1nc(Nc2cccc(C#N)n2)sc1C
InChIInChI=1S/C12H12N4S/c1-3-10-8(2)17-12(15-10)16-11-6-4-5-9(7-13)14-11/h4-6H,3H2,1-2H3,(H,14,15,16)
InChIKeyQKGYMEAAQKCLJM-UHFFFAOYSA-N
MW244.32 g/mol
LogP3.02
Rot. Bonds3

About 6-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]pyridine-2-carbonitrile

6-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]pyridine-2-carbonitrile (PubChem CID 64594711) has the molecular formula C12H12N4S and a molecular weight of 244.32 g/mol. Its IUPAC name is 6-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]pyridine-2-carbonitrile
PubChem CID64594711
Molecular FormulaC12H12N4S
Molecular Weight244.32 g/mol
Exact Mass244.08
IUPAC Name6-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]pyridine-2-carbonitrile
SMILESCCc1nc(Nc2cccc(C#N)n2)sc1C
InChIInChI=1S/C12H12N4S/c1-3-10-8(2)17-12(15-10)16-11-6-4-5-9(7-13)14-11/h4-6H,3H2,1-2H3,(H,14,15,16)
InChIKeyQKGYMEAAQKCLJM-UHFFFAOYSA-N
XLogP3.02
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-6-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]benzonitrile
CID 114880753
4-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]-3-methylbenzonitrile
CID 54954001
6-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]pyridine-2-carbonitrile
CID 64587663
2-chloro-4-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]benzonitrile
CID 62947656
6-(4-methylanilino)pyridine-2-carbonitrile
CID 64593514
3-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzene-1,3-diamine
CID 82057620
3-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]-5-fluorobenzonitrile
CID 102815682
4-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)pyrimidine-2,4,6-triamine
CID 114053167
6-(pyrimidin-5-ylamino)pyridine-2-carbonitrile
CID 107588709
6-(4-tert-butylanilino)pyridine-2-carbonitrile
CID 64588460
6-(2-fluoro-3-methylanilino)pyridine-2-carbonitrile
CID 114254817
6-[2-(5-methyl-1,3-thiazol-2-yl)ethylamino]pyridine-2-carbonitrile
CID 133323177

Frequently Asked Questions

What is the IUPAC name of 6-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]pyridine-2-carbonitrile?
The IUPAC name of 6-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]pyridine-2-carbonitrile (CID 64594711) is 6-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]pyridine-2-carbonitrile?
The canonical SMILES for 6-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]pyridine-2-carbonitrile is CCc1nc(Nc2cccc(C#N)n2)sc1C.
What is the InChIKey of 6-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]pyridine-2-carbonitrile?
The InChIKey is QKGYMEAAQKCLJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4S/c1-3-10-8(2)17-12(15-10)16-11-6-4-5-9(7-13)14-11/h4-6H,3H2,1-2H3,(H,14,15,16).
What are the key properties of 6-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]pyridine-2-carbonitrile?
6-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]pyridine-2-carbonitrile has a molecular weight of 244.32 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]pyridine-2-carbonitrile is sourced from PubChem (CID 64594711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).