N-[4-[7-(4-chloroanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]phenyl]benzamide

C24H16ClN5OS — CID 141247329

IUPACN-[4-[7-(4-chloroanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]phenyl]benzamide
SMILESO=C(Nc1ccc(-c2nc3c(Nc4ccc(Cl)cc4)ncnc3s2)cc1)c1ccccc1
InChIInChI=1S/C24H16ClN5OS/c25-17-8-12-18(13-9-17)28-21-20-24(27-14-26-21)32-23(30-20)16-6-10-19(11-7-16)29-22(31)15-4-2-1-3-5-15/h1-14H,(H,29,31)(H,26,27,28)
InChIKeyHBZCENFJQDJFDX-UHFFFAOYSA-N
MW457.95 g/mol
LogP6.40
Rot. Bonds5

About N-[4-[7-(4-chloroanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]phenyl]benzamide

N-[4-[7-(4-chloroanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]phenyl]benzamide (PubChem CID 141247329) has the molecular formula C24H16ClN5OS and a molecular weight of 457.95 g/mol. Its IUPAC name is N-[4-[7-(4-chloroanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]phenyl]benzamide.

Molecular Properties

Compound NameN-[4-[7-(4-chloroanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]phenyl]benzamide
PubChem CID141247329
Molecular FormulaC24H16ClN5OS
Molecular Weight457.95 g/mol
Exact Mass457.08
IUPAC NameN-[4-[7-(4-chloroanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]phenyl]benzamide
SMILESO=C(Nc1ccc(-c2nc3c(Nc4ccc(Cl)cc4)ncnc3s2)cc1)c1ccccc1
InChIInChI=1S/C24H16ClN5OS/c25-17-8-12-18(13-9-17)28-21-20-24(27-14-26-21)32-23(30-20)16-6-10-19(11-7-16)29-22(31)15-4-2-1-3-5-15/h1-14H,(H,29,31)(H,26,27,28)
InChIKeyHBZCENFJQDJFDX-UHFFFAOYSA-N
XLogP6.40
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.95
LogP ≤ 56.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-chlorophenyl)benzamide;hydrochloride
CID 139912610
N-(4-anilinophenyl)-4-chlorobenzamide
CID 681104
4-[(4-chlorobenzoyl)amino]-2-phenyl-1,3-thiazole-5-carboxylic acid
CID 10126129
N-[4-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]benzamide
CID 1100705
3,5-dichloro-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide
CID 121024338
N-[4-[(6-amino-5-formylpyrimidin-4-yl)amino]phenyl]benzamide
CID 86658970
N-[4-(4-phenylphenyl)phenyl]benzamide
CID 59742294
N-[4-[(4-chlorophenyl)methylamino]phenyl]benzamide
CID 112982578
N-(4-chlorophenyl)-4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzamide
CID 58716978
N-[4-[4-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]phenyl]benzamide
CID 11269768
N-[4-(5-benzamido-2-pyridinyl)phenyl]benzamide
CID 86766305
N-(4-anilinophenyl)-4-benzamidobenzamide
CID 52560314

Frequently Asked Questions

What is the IUPAC name of N-[4-[7-(4-chloroanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]phenyl]benzamide?
The IUPAC name of N-[4-[7-(4-chloroanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]phenyl]benzamide (CID 141247329) is N-[4-[7-(4-chloroanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]phenyl]benzamide.
What is the SMILES notation for N-[4-[7-(4-chloroanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]phenyl]benzamide?
The canonical SMILES for N-[4-[7-(4-chloroanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]phenyl]benzamide is O=C(Nc1ccc(-c2nc3c(Nc4ccc(Cl)cc4)ncnc3s2)cc1)c1ccccc1.
What is the InChIKey of N-[4-[7-(4-chloroanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]phenyl]benzamide?
The InChIKey is HBZCENFJQDJFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16ClN5OS/c25-17-8-12-18(13-9-17)28-21-20-24(27-14-26-21)32-23(30-20)16-6-10-19(11-7-16)29-22(31)15-4-2-1-3-5-15/h1-14H,(H,29,31)(H,26,27,28).
What are the key properties of N-[4-[7-(4-chloroanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]phenyl]benzamide?
N-[4-[7-(4-chloroanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]phenyl]benzamide has a molecular weight of 457.95 g/mol, XLogP of 6.40, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[7-(4-chloroanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]phenyl]benzamide is sourced from PubChem (CID 141247329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).