3-amino-5-[(4-ethylcyclohexyl)methylamino]-1,2-thiazole-4-carbonitrile

C13H20N4S — CID 103383180

IUPAC3-amino-5-[(4-ethylcyclohexyl)methylamino]-1,2-thiazole-4-carbonitrile
SMILESCCC1CCC(CNc2snc(N)c2C#N)CC1
InChIInChI=1S/C13H20N4S/c1-2-9-3-5-10(6-4-9)8-16-13-11(7-14)12(15)17-18-13/h9-10,16H,2-6,8H2,1H3,(H2,15,17)
InChIKeyVMZMJAMMQLXKMB-UHFFFAOYSA-N
MW264.40 g/mol
LogP3.23
Rot. Bonds4

About 3-amino-5-[(4-ethylcyclohexyl)methylamino]-1,2-thiazole-4-carbonitrile

3-amino-5-[(4-ethylcyclohexyl)methylamino]-1,2-thiazole-4-carbonitrile (PubChem CID 103383180) has the molecular formula C13H20N4S and a molecular weight of 264.40 g/mol. Its IUPAC name is 3-amino-5-[(4-ethylcyclohexyl)methylamino]-1,2-thiazole-4-carbonitrile.

Molecular Properties

Compound Name3-amino-5-[(4-ethylcyclohexyl)methylamino]-1,2-thiazole-4-carbonitrile
PubChem CID103383180
Molecular FormulaC13H20N4S
Molecular Weight264.40 g/mol
Exact Mass264.14
IUPAC Name3-amino-5-[(4-ethylcyclohexyl)methylamino]-1,2-thiazole-4-carbonitrile
SMILESCCC1CCC(CNc2snc(N)c2C#N)CC1
InChIInChI=1S/C13H20N4S/c1-2-9-3-5-10(6-4-9)8-16-13-11(7-14)12(15)17-18-13/h9-10,16H,2-6,8H2,1H3,(H2,15,17)
InChIKeyVMZMJAMMQLXKMB-UHFFFAOYSA-N
XLogP3.23
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.40
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[(4-ethylcyclohexyl)methylamino]-1,2-thiazole-4-carbonitrile?
The IUPAC name of 3-amino-5-[(4-ethylcyclohexyl)methylamino]-1,2-thiazole-4-carbonitrile (CID 103383180) is 3-amino-5-[(4-ethylcyclohexyl)methylamino]-1,2-thiazole-4-carbonitrile.
What is the SMILES notation for 3-amino-5-[(4-ethylcyclohexyl)methylamino]-1,2-thiazole-4-carbonitrile?
The canonical SMILES for 3-amino-5-[(4-ethylcyclohexyl)methylamino]-1,2-thiazole-4-carbonitrile is CCC1CCC(CNc2snc(N)c2C#N)CC1.
What is the InChIKey of 3-amino-5-[(4-ethylcyclohexyl)methylamino]-1,2-thiazole-4-carbonitrile?
The InChIKey is VMZMJAMMQLXKMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4S/c1-2-9-3-5-10(6-4-9)8-16-13-11(7-14)12(15)17-18-13/h9-10,16H,2-6,8H2,1H3,(H2,15,17).
What are the key properties of 3-amino-5-[(4-ethylcyclohexyl)methylamino]-1,2-thiazole-4-carbonitrile?
3-amino-5-[(4-ethylcyclohexyl)methylamino]-1,2-thiazole-4-carbonitrile has a molecular weight of 264.40 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[(4-ethylcyclohexyl)methylamino]-1,2-thiazole-4-carbonitrile is sourced from PubChem (CID 103383180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).