3,5-dichloro-4-[4-[(6-ethylpyrimidin-4-yl)amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzamide

C19H14Cl2N6OS — CID 66801367

IUPAC3,5-dichloro-4-[4-[(6-ethylpyrimidin-4-yl)amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzamide
SMILESCCc1cc(Nc2nccc3nc(-c4c(Cl)cc(C(N)=O)cc4Cl)sc23)ncn1
InChIInChI=1S/C19H14Cl2N6OS/c1-2-10-7-14(25-8-24-10)27-18-16-13(3-4-23-18)26-19(29-16)15-11(20)5-9(17(22)28)6-12(15)21/h3-8H,2H2,1H3,(H2,22,28)(H,23,24,25,27)
InChIKeyYCYAKCXIKCDMKF-UHFFFAOYSA-N
MW445.34 g/mol
LogP4.86
Rot. Bonds5

About 3,5-dichloro-4-[4-[(6-ethylpyrimidin-4-yl)amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzamide

3,5-dichloro-4-[4-[(6-ethylpyrimidin-4-yl)amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzamide (PubChem CID 66801367) has the molecular formula C19H14Cl2N6OS and a molecular weight of 445.34 g/mol. Its IUPAC name is 3,5-dichloro-4-[4-[(6-ethylpyrimidin-4-yl)amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzamide.

Molecular Properties

Compound Name3,5-dichloro-4-[4-[(6-ethylpyrimidin-4-yl)amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzamide
PubChem CID66801367
Molecular FormulaC19H14Cl2N6OS
Molecular Weight445.34 g/mol
Exact Mass444.03
IUPAC Name3,5-dichloro-4-[4-[(6-ethylpyrimidin-4-yl)amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzamide
SMILESCCc1cc(Nc2nccc3nc(-c4c(Cl)cc(C(N)=O)cc4Cl)sc23)ncn1
InChIInChI=1S/C19H14Cl2N6OS/c1-2-10-7-14(25-8-24-10)27-18-16-13(3-4-23-18)26-19(29-16)15-11(20)5-9(17(22)28)6-12(15)21/h3-8H,2H2,1H3,(H2,22,28)(H,23,24,25,27)
InChIKeyYCYAKCXIKCDMKF-UHFFFAOYSA-N
XLogP4.86
TPSA106.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.34
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3,5-dichloro-4-[4-[(6-ethylpyrimidin-4-yl)amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzamide 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 3,5-dichloro-4-[4-[(6-ethylpyrimidin-4-yl)amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzamide?
The IUPAC name of 3,5-dichloro-4-[4-[(6-ethylpyrimidin-4-yl)amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzamide (CID 66801367) is 3,5-dichloro-4-[4-[(6-ethylpyrimidin-4-yl)amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzamide.
What is the SMILES notation for 3,5-dichloro-4-[4-[(6-ethylpyrimidin-4-yl)amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzamide?
The canonical SMILES for 3,5-dichloro-4-[4-[(6-ethylpyrimidin-4-yl)amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzamide is CCc1cc(Nc2nccc3nc(-c4c(Cl)cc(C(N)=O)cc4Cl)sc23)ncn1.
What is the InChIKey of 3,5-dichloro-4-[4-[(6-ethylpyrimidin-4-yl)amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzamide?
The InChIKey is YCYAKCXIKCDMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2N6OS/c1-2-10-7-14(25-8-24-10)27-18-16-13(3-4-23-18)26-19(29-16)15-11(20)5-9(17(22)28)6-12(15)21/h3-8H,2H2,1H3,(H2,22,28)(H,23,24,25,27).
What are the key properties of 3,5-dichloro-4-[4-[(6-ethylpyrimidin-4-yl)amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzamide?
3,5-dichloro-4-[4-[(6-ethylpyrimidin-4-yl)amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzamide has a molecular weight of 445.34 g/mol, XLogP of 4.86, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-[4-[(6-ethylpyrimidin-4-yl)amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzamide is sourced from PubChem (CID 66801367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).