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

C12H12N4S — CID 133323177

IUPAC6-[2-(5-methyl-1,3-thiazol-2-yl)ethylamino]pyridine-2-carbonitrile
SMILESCc1cnc(CCNc2cccc(C#N)n2)s1
InChIInChI=1S/C12H12N4S/c1-9-8-15-12(17-9)5-6-14-11-4-2-3-10(7-13)16-11/h2-4,8H,5-6H2,1H3,(H,14,16)
InChIKeyHCWFDVLVHCCQIE-UHFFFAOYSA-N
MW244.32 g/mol
LogP2.37
Rot. Bonds4

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

6-[2-(5-methyl-1,3-thiazol-2-yl)ethylamino]pyridine-2-carbonitrile (PubChem CID 133323177) has the molecular formula C12H12N4S and a molecular weight of 244.32 g/mol. Its IUPAC name is 6-[2-(5-methyl-1,3-thiazol-2-yl)ethylamino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[2-(5-methyl-1,3-thiazol-2-yl)ethylamino]pyridine-2-carbonitrile
PubChem CID133323177
Molecular FormulaC12H12N4S
Molecular Weight244.32 g/mol
Exact Mass244.08
IUPAC Name6-[2-(5-methyl-1,3-thiazol-2-yl)ethylamino]pyridine-2-carbonitrile
SMILESCc1cnc(CCNc2cccc(C#N)n2)s1
InChIInChI=1S/C12H12N4S/c1-9-8-15-12(17-9)5-6-14-11-4-2-3-10(7-13)16-11/h2-4,8H,5-6H2,1H3,(H,14,16)
InChIKeyHCWFDVLVHCCQIE-UHFFFAOYSA-N
XLogP2.37
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-chloro-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]isoquinolin-3-amine
CID 133323288
6-[2-(1H-imidazol-5-yl)ethylamino]pyridine-2-carbonitrile
CID 65232033
6-(3-cyanopropylamino)pyridine-2-carbonitrile
CID 130778540
6-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyridine-2-carbonitrile
CID 64588768
3-[(6-cyano-2-pyridinyl)amino]-N-(6-methyl-2-pyridinyl)propanamide
CID 133392288
5-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-1,3,4-thiadiazol-2-amine
CID 133323180
6-(3-methylsulfanylbutylamino)pyridine-2-carbonitrile
CID 115766580
ethyl 3-[(6-cyano-2-pyridinyl)amino]propanoate
CID 64589745
6-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]pyridine-2-carbonitrile
CID 64594711
6-(4-tert-butylanilino)pyridine-2-carbonitrile
CID 64588460
N,N-dimethyl-6-[2-(5-methyl-1,3-thiazol-2-yl)ethylamino]pyridine-3-carboxamide
CID 133323231
6-[2-(5-ethyl-1,3-thiazol-2-yl)ethylamino]pyridine-3-carbonitrile
CID 133325986

Frequently Asked Questions

What is the IUPAC name of 6-[2-(5-methyl-1,3-thiazol-2-yl)ethylamino]pyridine-2-carbonitrile?
The IUPAC name of 6-[2-(5-methyl-1,3-thiazol-2-yl)ethylamino]pyridine-2-carbonitrile (CID 133323177) is 6-[2-(5-methyl-1,3-thiazol-2-yl)ethylamino]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[2-(5-methyl-1,3-thiazol-2-yl)ethylamino]pyridine-2-carbonitrile?
The canonical SMILES for 6-[2-(5-methyl-1,3-thiazol-2-yl)ethylamino]pyridine-2-carbonitrile is Cc1cnc(CCNc2cccc(C#N)n2)s1.
What is the InChIKey of 6-[2-(5-methyl-1,3-thiazol-2-yl)ethylamino]pyridine-2-carbonitrile?
The InChIKey is HCWFDVLVHCCQIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4S/c1-9-8-15-12(17-9)5-6-14-11-4-2-3-10(7-13)16-11/h2-4,8H,5-6H2,1H3,(H,14,16).
What are the key properties of 6-[2-(5-methyl-1,3-thiazol-2-yl)ethylamino]pyridine-2-carbonitrile?
6-[2-(5-methyl-1,3-thiazol-2-yl)ethylamino]pyridine-2-carbonitrile has a molecular weight of 244.32 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(5-methyl-1,3-thiazol-2-yl)ethylamino]pyridine-2-carbonitrile is sourced from PubChem (CID 133323177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).