3-[4-chloro-6-[ethyl(propan-2-yl)amino]-1,3,5-triazin-2-yl]-5,5-dimethyl-2-propan-2-yl-1,3-thiazolidine-4-carboxamide

C17H29ClN6OS — CID 110190346

IUPAC3-[4-chloro-6-[ethyl(propan-2-yl)amino]-1,3,5-triazin-2-yl]-5,5-dimethyl-2-propan-2-yl-1,3-thiazolidine-4-carboxamide
SMILESCCN(c1nc(Cl)nc(N2C(C(C)C)SC(C)(C)C2C(N)=O)n1)C(C)C
InChIInChI=1S/C17H29ClN6OS/c1-8-23(10(4)5)15-20-14(18)21-16(22-15)24-11(12(19)25)17(6,7)26-13(24)9(2)3/h9-11,13H,8H2,1-7H3,(H2,19,25)
InChIKeyVCVRIHNJZLPIIZ-UHFFFAOYSA-N
MW400.98 g/mol
LogP2.93
Rot. Bonds6

About 3-[4-chloro-6-[ethyl(propan-2-yl)amino]-1,3,5-triazin-2-yl]-5,5-dimethyl-2-propan-2-yl-1,3-thiazolidine-4-carboxamide

3-[4-chloro-6-[ethyl(propan-2-yl)amino]-1,3,5-triazin-2-yl]-5,5-dimethyl-2-propan-2-yl-1,3-thiazolidine-4-carboxamide (PubChem CID 110190346) has the molecular formula C17H29ClN6OS and a molecular weight of 400.98 g/mol. Its IUPAC name is 3-[4-chloro-6-[ethyl(propan-2-yl)amino]-1,3,5-triazin-2-yl]-5,5-dimethyl-2-propan-2-yl-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name3-[4-chloro-6-[ethyl(propan-2-yl)amino]-1,3,5-triazin-2-yl]-5,5-dimethyl-2-propan-2-yl-1,3-thiazolidine-4-carboxamide
PubChem CID110190346
Molecular FormulaC17H29ClN6OS
Molecular Weight400.98 g/mol
Exact Mass400.18
IUPAC Name3-[4-chloro-6-[ethyl(propan-2-yl)amino]-1,3,5-triazin-2-yl]-5,5-dimethyl-2-propan-2-yl-1,3-thiazolidine-4-carboxamide
SMILESCCN(c1nc(Cl)nc(N2C(C(C)C)SC(C)(C)C2C(N)=O)n1)C(C)C
InChIInChI=1S/C17H29ClN6OS/c1-8-23(10(4)5)15-20-14(18)21-16(22-15)24-11(12(19)25)17(6,7)26-13(24)9(2)3/h9-11,13H,8H2,1-7H3,(H2,19,25)
InChIKeyVCVRIHNJZLPIIZ-UHFFFAOYSA-N
XLogP2.93
TPSA88.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.98
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[4-chloro-6-[ethyl(propan-2-yl)amino]-1,3,5-triazin-2-yl]-5,5-dimethyl-2-propan-2-yl-1,3-thiazolidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[4-chloro-6-[ethyl(propan-2-yl)amino]-1,3,5-triazin-2-yl]-5,5-dimethyl-2-propan-2-yl-1,3-thiazolidine-4-carboxamide?
The IUPAC name of 3-[4-chloro-6-[ethyl(propan-2-yl)amino]-1,3,5-triazin-2-yl]-5,5-dimethyl-2-propan-2-yl-1,3-thiazolidine-4-carboxamide (CID 110190346) is 3-[4-chloro-6-[ethyl(propan-2-yl)amino]-1,3,5-triazin-2-yl]-5,5-dimethyl-2-propan-2-yl-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for 3-[4-chloro-6-[ethyl(propan-2-yl)amino]-1,3,5-triazin-2-yl]-5,5-dimethyl-2-propan-2-yl-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for 3-[4-chloro-6-[ethyl(propan-2-yl)amino]-1,3,5-triazin-2-yl]-5,5-dimethyl-2-propan-2-yl-1,3-thiazolidine-4-carboxamide is CCN(c1nc(Cl)nc(N2C(C(C)C)SC(C)(C)C2C(N)=O)n1)C(C)C.
What is the InChIKey of 3-[4-chloro-6-[ethyl(propan-2-yl)amino]-1,3,5-triazin-2-yl]-5,5-dimethyl-2-propan-2-yl-1,3-thiazolidine-4-carboxamide?
The InChIKey is VCVRIHNJZLPIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29ClN6OS/c1-8-23(10(4)5)15-20-14(18)21-16(22-15)24-11(12(19)25)17(6,7)26-13(24)9(2)3/h9-11,13H,8H2,1-7H3,(H2,19,25).
What are the key properties of 3-[4-chloro-6-[ethyl(propan-2-yl)amino]-1,3,5-triazin-2-yl]-5,5-dimethyl-2-propan-2-yl-1,3-thiazolidine-4-carboxamide?
3-[4-chloro-6-[ethyl(propan-2-yl)amino]-1,3,5-triazin-2-yl]-5,5-dimethyl-2-propan-2-yl-1,3-thiazolidine-4-carboxamide has a molecular weight of 400.98 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-chloro-6-[ethyl(propan-2-yl)amino]-1,3,5-triazin-2-yl]-5,5-dimethyl-2-propan-2-yl-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 110190346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).