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

C14H21N3S — CID 79375300

IUPAC5-(1-cyclohexylpropylamino)-3-methyl-1,2-thiazole-4-carbonitrile
SMILESCCC(Nc1snc(C)c1C#N)C1CCCCC1
InChIInChI=1S/C14H21N3S/c1-3-13(11-7-5-4-6-8-11)16-14-12(9-15)10(2)17-18-14/h11,13,16H,3-8H2,1-2H3
InChIKeyWHGODSXKUOADJY-UHFFFAOYSA-N
MW263.41 g/mol
LogP4.09
Rot. Bonds4

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

5-(1-cyclohexylpropylamino)-3-methyl-1,2-thiazole-4-carbonitrile (PubChem CID 79375300) has the molecular formula C14H21N3S and a molecular weight of 263.41 g/mol. Its IUPAC name is 5-(1-cyclohexylpropylamino)-3-methyl-1,2-thiazole-4-carbonitrile.

Molecular Properties

Compound Name5-(1-cyclohexylpropylamino)-3-methyl-1,2-thiazole-4-carbonitrile
PubChem CID79375300
Molecular FormulaC14H21N3S
Molecular Weight263.41 g/mol
Exact Mass263.15
IUPAC Name5-(1-cyclohexylpropylamino)-3-methyl-1,2-thiazole-4-carbonitrile
SMILESCCC(Nc1snc(C)c1C#N)C1CCCCC1
InChIInChI=1S/C14H21N3S/c1-3-13(11-7-5-4-6-8-11)16-14-12(9-15)10(2)17-18-14/h11,13,16H,3-8H2,1-2H3
InChIKeyWHGODSXKUOADJY-UHFFFAOYSA-N
XLogP4.09
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1-cyclohexylpropylamino)-3-methyl-1,2-thiazole-4-carbonitrile?
The IUPAC name of 5-(1-cyclohexylpropylamino)-3-methyl-1,2-thiazole-4-carbonitrile (CID 79375300) is 5-(1-cyclohexylpropylamino)-3-methyl-1,2-thiazole-4-carbonitrile.
What is the SMILES notation for 5-(1-cyclohexylpropylamino)-3-methyl-1,2-thiazole-4-carbonitrile?
The canonical SMILES for 5-(1-cyclohexylpropylamino)-3-methyl-1,2-thiazole-4-carbonitrile is CCC(Nc1snc(C)c1C#N)C1CCCCC1.
What is the InChIKey of 5-(1-cyclohexylpropylamino)-3-methyl-1,2-thiazole-4-carbonitrile?
The InChIKey is WHGODSXKUOADJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3S/c1-3-13(11-7-5-4-6-8-11)16-14-12(9-15)10(2)17-18-14/h11,13,16H,3-8H2,1-2H3.
What are the key properties of 5-(1-cyclohexylpropylamino)-3-methyl-1,2-thiazole-4-carbonitrile?
5-(1-cyclohexylpropylamino)-3-methyl-1,2-thiazole-4-carbonitrile has a molecular weight of 263.41 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-cyclohexylpropylamino)-3-methyl-1,2-thiazole-4-carbonitrile is sourced from PubChem (CID 79375300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).