3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]propanamide

C21H24N4OS2 — CID 71922792

IUPAC3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]propanamide
SMILESCSc1nc(C)c(CCC(=O)NCCc2csc(-c3ccccc3)n2)c(C)n1
InChIInChI=1S/C21H24N4OS2/c1-14-18(15(2)24-21(23-14)27-3)9-10-19(26)22-12-11-17-13-28-20(25-17)16-7-5-4-6-8-16/h4-8,13H,9-12H2,1-3H3,(H,22,26)
InChIKeyYSYRVKBKQXCYIE-UHFFFAOYSA-N
MW412.58 g/mol
LogP4.23
Rot. Bonds8

About 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]propanamide

3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]propanamide (PubChem CID 71922792) has the molecular formula C21H24N4OS2 and a molecular weight of 412.58 g/mol. Its IUPAC name is 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]propanamide
PubChem CID71922792
Molecular FormulaC21H24N4OS2
Molecular Weight412.58 g/mol
Exact Mass412.14
IUPAC Name3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]propanamide
SMILESCSc1nc(C)c(CCC(=O)NCCc2csc(-c3ccccc3)n2)c(C)n1
InChIInChI=1S/C21H24N4OS2/c1-14-18(15(2)24-21(23-14)27-3)9-10-19(26)22-12-11-17-13-28-20(25-17)16-7-5-4-6-8-16/h4-8,13H,9-12H2,1-3H3,(H,22,26)
InChIKeyYSYRVKBKQXCYIE-UHFFFAOYSA-N
XLogP4.23
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.58
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]propanamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-3-phenylpropanamide
CID 7522122
3-phenyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]propanamide
CID 112500664
4-amino-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]butanamide
CID 119266976
3-(furan-2-yl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]propanamide
CID 71973739
N-(2-methoxyethyl)-3-(2-phenyl-1,3-thiazol-4-yl)propanamide
CID 110332864
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 38162050
7-amino-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]heptanamide
CID 119681392
N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 118789706
N-(3-phenylpropyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
CID 110330030
2-(4-chlorophenyl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 35343942
2-methyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 35344742
N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2-phenylacetamide
CID 35344893

Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]propanamide?
The IUPAC name of 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]propanamide (CID 71922792) is 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]propanamide.
What is the SMILES notation for 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]propanamide?
The canonical SMILES for 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]propanamide is CSc1nc(C)c(CCC(=O)NCCc2csc(-c3ccccc3)n2)c(C)n1.
What is the InChIKey of 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]propanamide?
The InChIKey is YSYRVKBKQXCYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4OS2/c1-14-18(15(2)24-21(23-14)27-3)9-10-19(26)22-12-11-17-13-28-20(25-17)16-7-5-4-6-8-16/h4-8,13H,9-12H2,1-3H3,(H,22,26).
What are the key properties of 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]propanamide?
3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]propanamide has a molecular weight of 412.58 g/mol, XLogP of 4.23, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]propanamide is sourced from PubChem (CID 71922792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).