N-[3-[2-(2,4-diamino-1,3-thiazol-5-yl)-1,3-thiazol-4-yl]phenyl]benzamide

C19H15N5OS2 — CID 22993961

IUPACN-[3-[2-(2,4-diamino-1,3-thiazol-5-yl)-1,3-thiazol-4-yl]phenyl]benzamide
SMILESNc1nc(N)c(-c2nc(-c3cccc(NC(=O)c4ccccc4)c3)cs2)s1
InChIInChI=1S/C19H15N5OS2/c20-16-15(27-19(21)24-16)18-23-14(10-26-18)12-7-4-8-13(9-12)22-17(25)11-5-2-1-3-6-11/h1-10H,20H2,(H2,21,24)(H,22,25)
InChIKeyFZFIYOAPPGZOJL-UHFFFAOYSA-N
MW393.50 g/mol
LogP4.35
Rot. Bonds4

About N-[3-[2-(2,4-diamino-1,3-thiazol-5-yl)-1,3-thiazol-4-yl]phenyl]benzamide

N-[3-[2-(2,4-diamino-1,3-thiazol-5-yl)-1,3-thiazol-4-yl]phenyl]benzamide (PubChem CID 22993961) has the molecular formula C19H15N5OS2 and a molecular weight of 393.50 g/mol. Its IUPAC name is N-[3-[2-(2,4-diamino-1,3-thiazol-5-yl)-1,3-thiazol-4-yl]phenyl]benzamide.

Molecular Properties

Compound NameN-[3-[2-(2,4-diamino-1,3-thiazol-5-yl)-1,3-thiazol-4-yl]phenyl]benzamide
PubChem CID22993961
Molecular FormulaC19H15N5OS2
Molecular Weight393.50 g/mol
Exact Mass393.07
IUPAC NameN-[3-[2-(2,4-diamino-1,3-thiazol-5-yl)-1,3-thiazol-4-yl]phenyl]benzamide
SMILESNc1nc(N)c(-c2nc(-c3cccc(NC(=O)c4ccccc4)c3)cs2)s1
InChIInChI=1S/C19H15N5OS2/c20-16-15(27-19(21)24-16)18-23-14(10-26-18)12-7-4-8-13(9-12)22-17(25)11-5-2-1-3-6-11/h1-10H,20H2,(H2,21,24)(H,22,25)
InChIKeyFZFIYOAPPGZOJL-UHFFFAOYSA-N
XLogP4.35
TPSA106.92 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.50
LogP ≤ 54.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-[2-[4-amino-2-(methylcarbamoylamino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]benzamide
CID 21358390
N-[3-[2-[4-amino-2-(4-methoxyanilino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]benzamide
CID 21358305
N-[3-[2-[4-amino-2-(3-methylsulfanylanilino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]benzamide
CID 22994130
N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]benzamide
CID 108748438
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 766934
N-[3-[2-[4-amino-2-[[1-(benzenesulfonyl)piperidin-4-yl]amino]-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]benzamide
CID 87954481
4-phenyl-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]benzamide
CID 108770359
methyl 4-[[3-[2-[4-amino-2-(3,4,5-trimethoxyanilino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]carbamoyl]benzoate
CID 21358073
N-[3-[2-[4-amino-2-(3,4,5-trimethoxyanilino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]-4-fluorobenzamide
CID 22993990
N-[3-[2-[4-amino-2-(methylcarbamoylamino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]-6-oxopyran-3-carboxamide
CID 21358389
3-cyano-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 122286155
4-[[4-amino-5-[4-[3-[(3-methoxybenzoyl)amino]phenyl]-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]carbamoylamino]butanoic acid
CID 21357878

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(2,4-diamino-1,3-thiazol-5-yl)-1,3-thiazol-4-yl]phenyl]benzamide?
The IUPAC name of N-[3-[2-(2,4-diamino-1,3-thiazol-5-yl)-1,3-thiazol-4-yl]phenyl]benzamide (CID 22993961) is N-[3-[2-(2,4-diamino-1,3-thiazol-5-yl)-1,3-thiazol-4-yl]phenyl]benzamide.
What is the SMILES notation for N-[3-[2-(2,4-diamino-1,3-thiazol-5-yl)-1,3-thiazol-4-yl]phenyl]benzamide?
The canonical SMILES for N-[3-[2-(2,4-diamino-1,3-thiazol-5-yl)-1,3-thiazol-4-yl]phenyl]benzamide is Nc1nc(N)c(-c2nc(-c3cccc(NC(=O)c4ccccc4)c3)cs2)s1.
What is the InChIKey of N-[3-[2-(2,4-diamino-1,3-thiazol-5-yl)-1,3-thiazol-4-yl]phenyl]benzamide?
The InChIKey is FZFIYOAPPGZOJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5OS2/c20-16-15(27-19(21)24-16)18-23-14(10-26-18)12-7-4-8-13(9-12)22-17(25)11-5-2-1-3-6-11/h1-10H,20H2,(H2,21,24)(H,22,25).
What are the key properties of N-[3-[2-(2,4-diamino-1,3-thiazol-5-yl)-1,3-thiazol-4-yl]phenyl]benzamide?
N-[3-[2-(2,4-diamino-1,3-thiazol-5-yl)-1,3-thiazol-4-yl]phenyl]benzamide has a molecular weight of 393.50 g/mol, XLogP of 4.35, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(2,4-diamino-1,3-thiazol-5-yl)-1,3-thiazol-4-yl]phenyl]benzamide is sourced from PubChem (CID 22993961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).