5-(cyclohexylamino)-3-methyl-1,2-thiazole-4-carbonitrile

C11H15N3S — CID 79375367

IUPAC5-(cyclohexylamino)-3-methyl-1,2-thiazole-4-carbonitrile
SMILESCc1nsc(NC2CCCCC2)c1C#N
InChIInChI=1S/C11H15N3S/c1-8-10(7-12)11(15-14-8)13-9-5-3-2-4-6-9/h9,13H,2-6H2,1H3
InChIKeyRPEVSYAPFWOBKB-UHFFFAOYSA-N
MW221.33 g/mol
LogP3.07
Rot. Bonds2

About 5-(cyclohexylamino)-3-methyl-1,2-thiazole-4-carbonitrile

5-(cyclohexylamino)-3-methyl-1,2-thiazole-4-carbonitrile (PubChem CID 79375367) has the molecular formula C11H15N3S and a molecular weight of 221.33 g/mol. Its IUPAC name is 5-(cyclohexylamino)-3-methyl-1,2-thiazole-4-carbonitrile.

Molecular Properties

Compound Name5-(cyclohexylamino)-3-methyl-1,2-thiazole-4-carbonitrile
PubChem CID79375367
Molecular FormulaC11H15N3S
Molecular Weight221.33 g/mol
Exact Mass221.10
IUPAC Name5-(cyclohexylamino)-3-methyl-1,2-thiazole-4-carbonitrile
SMILESCc1nsc(NC2CCCCC2)c1C#N
InChIInChI=1S/C11H15N3S/c1-8-10(7-12)11(15-14-8)13-9-5-3-2-4-6-9/h9,13H,2-6H2,1H3
InChIKeyRPEVSYAPFWOBKB-UHFFFAOYSA-N
XLogP3.07
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexylamino)-3-methyl-1,2-thiazole-4-carbonitrile?
The IUPAC name of 5-(cyclohexylamino)-3-methyl-1,2-thiazole-4-carbonitrile (CID 79375367) is 5-(cyclohexylamino)-3-methyl-1,2-thiazole-4-carbonitrile.
What is the SMILES notation for 5-(cyclohexylamino)-3-methyl-1,2-thiazole-4-carbonitrile?
The canonical SMILES for 5-(cyclohexylamino)-3-methyl-1,2-thiazole-4-carbonitrile is Cc1nsc(NC2CCCCC2)c1C#N.
What is the InChIKey of 5-(cyclohexylamino)-3-methyl-1,2-thiazole-4-carbonitrile?
The InChIKey is RPEVSYAPFWOBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S/c1-8-10(7-12)11(15-14-8)13-9-5-3-2-4-6-9/h9,13H,2-6H2,1H3.
What are the key properties of 5-(cyclohexylamino)-3-methyl-1,2-thiazole-4-carbonitrile?
5-(cyclohexylamino)-3-methyl-1,2-thiazole-4-carbonitrile has a molecular weight of 221.33 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexylamino)-3-methyl-1,2-thiazole-4-carbonitrile is sourced from PubChem (CID 79375367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).