N-(3-phenyl-1,2,4-thiadiazol-5-yl)-4-(pyrimidin-4-ylamino)benzamide

C19H14N6OS — CID 11653665

IUPACN-(3-phenyl-1,2,4-thiadiazol-5-yl)-4-(pyrimidin-4-ylamino)benzamide
SMILESO=C(Nc1nc(-c2ccccc2)ns1)c1ccc(Nc2ccncn2)cc1
InChIInChI=1S/C19H14N6OS/c26-18(24-19-23-17(25-27-19)13-4-2-1-3-5-13)14-6-8-15(9-7-14)22-16-10-11-20-12-21-16/h1-12H,(H,20,21,22)(H,23,24,25,26)
InChIKeyUJFGQJKBVLQBMU-UHFFFAOYSA-N
MW374.43 g/mol
LogP3.99
Rot. Bonds5

About N-(3-phenyl-1,2,4-thiadiazol-5-yl)-4-(pyrimidin-4-ylamino)benzamide

N-(3-phenyl-1,2,4-thiadiazol-5-yl)-4-(pyrimidin-4-ylamino)benzamide (PubChem CID 11653665) has the molecular formula C19H14N6OS and a molecular weight of 374.43 g/mol. Its IUPAC name is N-(3-phenyl-1,2,4-thiadiazol-5-yl)-4-(pyrimidin-4-ylamino)benzamide.

Molecular Properties

Compound NameN-(3-phenyl-1,2,4-thiadiazol-5-yl)-4-(pyrimidin-4-ylamino)benzamide
PubChem CID11653665
Molecular FormulaC19H14N6OS
Molecular Weight374.43 g/mol
Exact Mass374.09
IUPAC NameN-(3-phenyl-1,2,4-thiadiazol-5-yl)-4-(pyrimidin-4-ylamino)benzamide
SMILESO=C(Nc1nc(-c2ccccc2)ns1)c1ccc(Nc2ccncn2)cc1
InChIInChI=1S/C19H14N6OS/c26-18(24-19-23-17(25-27-19)13-4-2-1-3-5-13)14-6-8-15(9-7-14)22-16-10-11-20-12-21-16/h1-12H,(H,20,21,22)(H,23,24,25,26)
InChIKeyUJFGQJKBVLQBMU-UHFFFAOYSA-N
XLogP3.99
TPSA92.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.43
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(3-phenyl-1,2,4-thiadiazol-5-yl)-4-(pyrimidin-4-ylamino)benzamide 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

4-(pyrimidin-4-ylamino)-N-[3-[3-(trifluoromethoxy)phenyl]-1,2,4-thiadiazol-5-yl]benzamide
CID 11583400
N-[3-[3-fluoro-4-(trifluoromethyl)phenyl]-1,2,4-thiadiazol-5-yl]-4-(pyrimidin-4-ylamino)benzamide
CID 11684019
4-(cyclopropanecarbonylamino)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide
CID 55819988
N-methyl-4-(pyrimidin-4-ylamino)benzamide
CID 59225958
4-cyclopentylsulfonyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide
CID 49327440
4-(pyrimidin-4-ylamino)-N-[4-[3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]benzamide
CID 11619475
4-(acetamidomethyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide
CID 86997275
1-phenyl-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea
CID 10803880
(3-phenyl-1,2,4-thiadiazol-5-yl)carbamothioic S-acid
CID 135291997
1-[4-(pyrimidin-4-ylamino)phenyl]ethanone
CID 115028223
N-(3-phenyl-1,2,4-thiadiazol-5-yl)-2H-benzotriazole-5-carboxamide
CID 47050295
N-[3-(3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]benzamide
CID 52904761

Frequently Asked Questions

What is the IUPAC name of N-(3-phenyl-1,2,4-thiadiazol-5-yl)-4-(pyrimidin-4-ylamino)benzamide?
The IUPAC name of N-(3-phenyl-1,2,4-thiadiazol-5-yl)-4-(pyrimidin-4-ylamino)benzamide (CID 11653665) is N-(3-phenyl-1,2,4-thiadiazol-5-yl)-4-(pyrimidin-4-ylamino)benzamide.
What is the SMILES notation for N-(3-phenyl-1,2,4-thiadiazol-5-yl)-4-(pyrimidin-4-ylamino)benzamide?
The canonical SMILES for N-(3-phenyl-1,2,4-thiadiazol-5-yl)-4-(pyrimidin-4-ylamino)benzamide is O=C(Nc1nc(-c2ccccc2)ns1)c1ccc(Nc2ccncn2)cc1.
What is the InChIKey of N-(3-phenyl-1,2,4-thiadiazol-5-yl)-4-(pyrimidin-4-ylamino)benzamide?
The InChIKey is UJFGQJKBVLQBMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N6OS/c26-18(24-19-23-17(25-27-19)13-4-2-1-3-5-13)14-6-8-15(9-7-14)22-16-10-11-20-12-21-16/h1-12H,(H,20,21,22)(H,23,24,25,26).
What are the key properties of N-(3-phenyl-1,2,4-thiadiazol-5-yl)-4-(pyrimidin-4-ylamino)benzamide?
N-(3-phenyl-1,2,4-thiadiazol-5-yl)-4-(pyrimidin-4-ylamino)benzamide has a molecular weight of 374.43 g/mol, XLogP of 3.99, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenyl-1,2,4-thiadiazol-5-yl)-4-(pyrimidin-4-ylamino)benzamide is sourced from PubChem (CID 11653665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).