3-amino-5-(3,5-dimethylpiperidin-1-yl)-1,2-thiazole-4-carbonitrile

C11H16N4S — CID 103381020

IUPAC3-amino-5-(3,5-dimethylpiperidin-1-yl)-1,2-thiazole-4-carbonitrile
SMILESCC1CC(C)CN(c2snc(N)c2C#N)C1
InChIInChI=1S/C11H16N4S/c1-7-3-8(2)6-15(5-7)11-9(4-12)10(13)14-16-11/h7-8H,3,5-6H2,1-2H3,(H2,13,14)
InChIKeyZYGSWJBHZXMHAT-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.08
Rot. Bonds1

About 3-amino-5-(3,5-dimethylpiperidin-1-yl)-1,2-thiazole-4-carbonitrile

3-amino-5-(3,5-dimethylpiperidin-1-yl)-1,2-thiazole-4-carbonitrile (PubChem CID 103381020) has the molecular formula C11H16N4S and a molecular weight of 236.34 g/mol. Its IUPAC name is 3-amino-5-(3,5-dimethylpiperidin-1-yl)-1,2-thiazole-4-carbonitrile.

Molecular Properties

Compound Name3-amino-5-(3,5-dimethylpiperidin-1-yl)-1,2-thiazole-4-carbonitrile
PubChem CID103381020
Molecular FormulaC11H16N4S
Molecular Weight236.34 g/mol
Exact Mass236.11
IUPAC Name3-amino-5-(3,5-dimethylpiperidin-1-yl)-1,2-thiazole-4-carbonitrile
SMILESCC1CC(C)CN(c2snc(N)c2C#N)C1
InChIInChI=1S/C11H16N4S/c1-7-3-8(2)6-15(5-7)11-9(4-12)10(13)14-16-11/h7-8H,3,5-6H2,1-2H3,(H2,13,14)
InChIKeyZYGSWJBHZXMHAT-UHFFFAOYSA-N
XLogP2.08
TPSA65.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-5-(3,5-dimethylpiperidin-1-yl)thiophene-2,4-dicarbonitrile
CID 103418511
5-(3,5-dimethylpiperidin-1-yl)-4-methoxy-1,2-thiazol-3-amine
CID 103381022
3-amino-5-[3-(methoxymethyl)pyrrolidin-1-yl]-1,2-thiazole-4-carbonitrile
CID 103382102
3-amino-5-(4-cyclopentylpiperazin-1-yl)-1,2-thiazole-4-carbonitrile
CID 103381604
3-amino-5-(4-ethylazepan-1-yl)-1,2-thiazole-4-carbonitrile
CID 103382060
3-amino-5-(4-methyl-3-oxopiperazin-1-yl)-1,2-thiazole-4-carbonitrile
CID 103382124
3-amino-5-(3,5-dimethylpiperidin-1-yl)-N-methyl-1,2-thiazole-4-carboxamide
CID 103381021
3-amino-5-[4-(4-chlorophenyl)piperazin-1-yl]-1,2-thiazole-4-carbonitrile
CID 103380964
3-amino-5-(3-ethylmorpholin-4-yl)-1,2-thiazole-4-carbonitrile
CID 103379570
3-amino-5-(3,4-dimethylpyrrolidin-1-yl)thiophene-2,4-dicarbonitrile
CID 103506699
methyl 4-amino-5-cyano-2-(3,5-dimethylpiperidin-1-yl)thiophene-3-carboxylate
CID 103418543
3-amino-5-(3-methylpyrrolidin-1-yl)thiophene-2,4-dicarbonitrile
CID 103509706

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(3,5-dimethylpiperidin-1-yl)-1,2-thiazole-4-carbonitrile?
The IUPAC name of 3-amino-5-(3,5-dimethylpiperidin-1-yl)-1,2-thiazole-4-carbonitrile (CID 103381020) is 3-amino-5-(3,5-dimethylpiperidin-1-yl)-1,2-thiazole-4-carbonitrile.
What is the SMILES notation for 3-amino-5-(3,5-dimethylpiperidin-1-yl)-1,2-thiazole-4-carbonitrile?
The canonical SMILES for 3-amino-5-(3,5-dimethylpiperidin-1-yl)-1,2-thiazole-4-carbonitrile is CC1CC(C)CN(c2snc(N)c2C#N)C1.
What is the InChIKey of 3-amino-5-(3,5-dimethylpiperidin-1-yl)-1,2-thiazole-4-carbonitrile?
The InChIKey is ZYGSWJBHZXMHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4S/c1-7-3-8(2)6-15(5-7)11-9(4-12)10(13)14-16-11/h7-8H,3,5-6H2,1-2H3,(H2,13,14).
What are the key properties of 3-amino-5-(3,5-dimethylpiperidin-1-yl)-1,2-thiazole-4-carbonitrile?
3-amino-5-(3,5-dimethylpiperidin-1-yl)-1,2-thiazole-4-carbonitrile has a molecular weight of 236.34 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(3,5-dimethylpiperidin-1-yl)-1,2-thiazole-4-carbonitrile is sourced from PubChem (CID 103381020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).