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

C11H10N4S — CID 63242090

IUPAC4-[2-(1,3-thiazol-2-yl)ethylamino]pyridine-2-carbonitrile
SMILESN#Cc1cc(NCCc2nccs2)ccn1
InChIInChI=1S/C11H10N4S/c12-8-10-7-9(1-3-14-10)13-4-2-11-15-5-6-16-11/h1,3,5-7H,2,4H2,(H,13,14)
InChIKeySIAIVVMIDRVLMR-UHFFFAOYSA-N
MW230.30 g/mol
LogP2.06
Rot. Bonds4

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

4-[2-(1,3-thiazol-2-yl)ethylamino]pyridine-2-carbonitrile (PubChem CID 63242090) has the molecular formula C11H10N4S and a molecular weight of 230.30 g/mol. Its IUPAC name is 4-[2-(1,3-thiazol-2-yl)ethylamino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[2-(1,3-thiazol-2-yl)ethylamino]pyridine-2-carbonitrile
PubChem CID63242090
Molecular FormulaC11H10N4S
Molecular Weight230.30 g/mol
Exact Mass230.06
IUPAC Name4-[2-(1,3-thiazol-2-yl)ethylamino]pyridine-2-carbonitrile
SMILESN#Cc1cc(NCCc2nccs2)ccn1
InChIInChI=1S/C11H10N4S/c12-8-10-7-9(1-3-14-10)13-4-2-11-15-5-6-16-11/h1,3,5-7H,2,4H2,(H,13,14)
InChIKeySIAIVVMIDRVLMR-UHFFFAOYSA-N
XLogP2.06
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(5-bromothiophen-2-yl)ethylamino]pyridine-2-carbonitrile
CID 114139101
2-nitro-5-[2-(1,3-thiazol-2-yl)ethylamino]benzonitrile
CID 115500322
4-(3,3,3-trifluoropropylamino)pyridine-2-carbonitrile
CID 63226781
4-(3-aminopropylamino)pyridine-2-carbonitrile
CID 62926383
4-(2-methoxyethylamino)pyridine-2-carbonitrile
CID 62924815
4-N-[2-(1,3-thiazol-2-yl)ethyl]benzene-1,2,4-triamine
CID 106750805
4-[2-(propylamino)ethylamino]pyridine-2-carbonitrile
CID 62926078
4-[2-[(2-cyano-4-pyridinyl)amino]ethyl]benzoic acid
CID 62924635
4-[2-(1-methylpyrazol-4-yl)ethylamino]pyridine-2-carbonitrile
CID 80681842
3,5-dichloro-N-[2-(1,3-thiazol-2-yl)ethyl]aniline
CID 94282162
4-[4-(dimethylamino)butylamino]pyridine-2-carbonitrile
CID 62925537
4-(5-methylhexylamino)pyridine-2-carbonitrile
CID 115325582

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1,3-thiazol-2-yl)ethylamino]pyridine-2-carbonitrile?
The IUPAC name of 4-[2-(1,3-thiazol-2-yl)ethylamino]pyridine-2-carbonitrile (CID 63242090) is 4-[2-(1,3-thiazol-2-yl)ethylamino]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[2-(1,3-thiazol-2-yl)ethylamino]pyridine-2-carbonitrile?
The canonical SMILES for 4-[2-(1,3-thiazol-2-yl)ethylamino]pyridine-2-carbonitrile is N#Cc1cc(NCCc2nccs2)ccn1.
What is the InChIKey of 4-[2-(1,3-thiazol-2-yl)ethylamino]pyridine-2-carbonitrile?
The InChIKey is SIAIVVMIDRVLMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4S/c12-8-10-7-9(1-3-14-10)13-4-2-11-15-5-6-16-11/h1,3,5-7H,2,4H2,(H,13,14).
What are the key properties of 4-[2-(1,3-thiazol-2-yl)ethylamino]pyridine-2-carbonitrile?
4-[2-(1,3-thiazol-2-yl)ethylamino]pyridine-2-carbonitrile has a molecular weight of 230.30 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1,3-thiazol-2-yl)ethylamino]pyridine-2-carbonitrile is sourced from PubChem (CID 63242090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).