3-[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]-2,5,5-trimethyl-1,3-thiazolidine-4-carbonitrile

C14H21ClN6S — CID 110190281

IUPAC3-[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]-2,5,5-trimethyl-1,3-thiazolidine-4-carbonitrile
SMILESCCN(CC)c1nc(Cl)nc(N2C(C)SC(C)(C)C2C#N)n1
InChIInChI=1S/C14H21ClN6S/c1-6-20(7-2)12-17-11(15)18-13(19-12)21-9(3)22-14(4,5)10(21)8-16/h9-10H,6-7H2,1-5H3
InChIKeyGBBNIJNYLXQHHT-UHFFFAOYSA-N
MW340.88 g/mol
LogP2.94
Rot. Bonds4

About 3-[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]-2,5,5-trimethyl-1,3-thiazolidine-4-carbonitrile

3-[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]-2,5,5-trimethyl-1,3-thiazolidine-4-carbonitrile (PubChem CID 110190281) has the molecular formula C14H21ClN6S and a molecular weight of 340.88 g/mol. Its IUPAC name is 3-[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]-2,5,5-trimethyl-1,3-thiazolidine-4-carbonitrile.

Molecular Properties

Compound Name3-[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]-2,5,5-trimethyl-1,3-thiazolidine-4-carbonitrile
PubChem CID110190281
Molecular FormulaC14H21ClN6S
Molecular Weight340.88 g/mol
Exact Mass340.12
IUPAC Name3-[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]-2,5,5-trimethyl-1,3-thiazolidine-4-carbonitrile
SMILESCCN(CC)c1nc(Cl)nc(N2C(C)SC(C)(C)C2C#N)n1
InChIInChI=1S/C14H21ClN6S/c1-6-20(7-2)12-17-11(15)18-13(19-12)21-9(3)22-14(4,5)10(21)8-16/h9-10H,6-7H2,1-5H3
InChIKeyGBBNIJNYLXQHHT-UHFFFAOYSA-N
XLogP2.94
TPSA68.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.88
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]-2,5,5-trimethyl-1,3-thiazolidine-4-carbonitrile?
The IUPAC name of 3-[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]-2,5,5-trimethyl-1,3-thiazolidine-4-carbonitrile (CID 110190281) is 3-[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]-2,5,5-trimethyl-1,3-thiazolidine-4-carbonitrile.
What is the SMILES notation for 3-[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]-2,5,5-trimethyl-1,3-thiazolidine-4-carbonitrile?
The canonical SMILES for 3-[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]-2,5,5-trimethyl-1,3-thiazolidine-4-carbonitrile is CCN(CC)c1nc(Cl)nc(N2C(C)SC(C)(C)C2C#N)n1.
What is the InChIKey of 3-[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]-2,5,5-trimethyl-1,3-thiazolidine-4-carbonitrile?
The InChIKey is GBBNIJNYLXQHHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN6S/c1-6-20(7-2)12-17-11(15)18-13(19-12)21-9(3)22-14(4,5)10(21)8-16/h9-10H,6-7H2,1-5H3.
What are the key properties of 3-[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]-2,5,5-trimethyl-1,3-thiazolidine-4-carbonitrile?
3-[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]-2,5,5-trimethyl-1,3-thiazolidine-4-carbonitrile has a molecular weight of 340.88 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]-2,5,5-trimethyl-1,3-thiazolidine-4-carbonitrile is sourced from PubChem (CID 110190281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).