3-(4-amino-6-methoxy-1,3,5-triazin-2-yl)-2-ethyl-5,5-dimethyl-1,3-thiazolidine-4-carbonitrile

C12H18N6OS — CID 110190331

IUPAC3-(4-amino-6-methoxy-1,3,5-triazin-2-yl)-2-ethyl-5,5-dimethyl-1,3-thiazolidine-4-carbonitrile
SMILESCCC1SC(C)(C)C(C#N)N1c1nc(N)nc(OC)n1
InChIInChI=1S/C12H18N6OS/c1-5-8-18(7(6-13)12(2,3)20-8)10-15-9(14)16-11(17-10)19-4/h7-8H,5H2,1-4H3,(H2,14,15,16,17)
InChIKeyNMUVDJUXOUJWHP-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.42
Rot. Bonds3

About 3-(4-amino-6-methoxy-1,3,5-triazin-2-yl)-2-ethyl-5,5-dimethyl-1,3-thiazolidine-4-carbonitrile

3-(4-amino-6-methoxy-1,3,5-triazin-2-yl)-2-ethyl-5,5-dimethyl-1,3-thiazolidine-4-carbonitrile (PubChem CID 110190331) has the molecular formula C12H18N6OS and a molecular weight of 294.38 g/mol. Its IUPAC name is 3-(4-amino-6-methoxy-1,3,5-triazin-2-yl)-2-ethyl-5,5-dimethyl-1,3-thiazolidine-4-carbonitrile.

Molecular Properties

Compound Name3-(4-amino-6-methoxy-1,3,5-triazin-2-yl)-2-ethyl-5,5-dimethyl-1,3-thiazolidine-4-carbonitrile
PubChem CID110190331
Molecular FormulaC12H18N6OS
Molecular Weight294.38 g/mol
Exact Mass294.13
IUPAC Name3-(4-amino-6-methoxy-1,3,5-triazin-2-yl)-2-ethyl-5,5-dimethyl-1,3-thiazolidine-4-carbonitrile
SMILESCCC1SC(C)(C)C(C#N)N1c1nc(N)nc(OC)n1
InChIInChI=1S/C12H18N6OS/c1-5-8-18(7(6-13)12(2,3)20-8)10-15-9(14)16-11(17-10)19-4/h7-8H,5H2,1-4H3,(H2,14,15,16,17)
InChIKeyNMUVDJUXOUJWHP-UHFFFAOYSA-N
XLogP1.42
TPSA100.95 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-6-methoxy-1,3,5-triazin-2-yl)-2-ethyl-5,5-dimethyl-1,3-thiazolidine-4-carbonitrile?
The IUPAC name of 3-(4-amino-6-methoxy-1,3,5-triazin-2-yl)-2-ethyl-5,5-dimethyl-1,3-thiazolidine-4-carbonitrile (CID 110190331) is 3-(4-amino-6-methoxy-1,3,5-triazin-2-yl)-2-ethyl-5,5-dimethyl-1,3-thiazolidine-4-carbonitrile.
What is the SMILES notation for 3-(4-amino-6-methoxy-1,3,5-triazin-2-yl)-2-ethyl-5,5-dimethyl-1,3-thiazolidine-4-carbonitrile?
The canonical SMILES for 3-(4-amino-6-methoxy-1,3,5-triazin-2-yl)-2-ethyl-5,5-dimethyl-1,3-thiazolidine-4-carbonitrile is CCC1SC(C)(C)C(C#N)N1c1nc(N)nc(OC)n1.
What is the InChIKey of 3-(4-amino-6-methoxy-1,3,5-triazin-2-yl)-2-ethyl-5,5-dimethyl-1,3-thiazolidine-4-carbonitrile?
The InChIKey is NMUVDJUXOUJWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6OS/c1-5-8-18(7(6-13)12(2,3)20-8)10-15-9(14)16-11(17-10)19-4/h7-8H,5H2,1-4H3,(H2,14,15,16,17).
What are the key properties of 3-(4-amino-6-methoxy-1,3,5-triazin-2-yl)-2-ethyl-5,5-dimethyl-1,3-thiazolidine-4-carbonitrile?
3-(4-amino-6-methoxy-1,3,5-triazin-2-yl)-2-ethyl-5,5-dimethyl-1,3-thiazolidine-4-carbonitrile has a molecular weight of 294.38 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-6-methoxy-1,3,5-triazin-2-yl)-2-ethyl-5,5-dimethyl-1,3-thiazolidine-4-carbonitrile is sourced from PubChem (CID 110190331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).