N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-5-thiophen-2-yl-1,3,4-thiadiazol-2-amine

C21H14N4S3 — CID 108772112

IUPACN-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-5-thiophen-2-yl-1,3,4-thiadiazol-2-amine
SMILESc1ccc(-c2nc(-c3ccc(Nc4nnc(-c5cccs5)s4)cc3)cs2)cc1
InChIInChI=1S/C21H14N4S3/c1-2-5-15(6-3-1)19-23-17(13-27-19)14-8-10-16(11-9-14)22-21-25-24-20(28-21)18-7-4-12-26-18/h1-13H,(H,22,25)
InChIKeyLYOIWNWBUVXDKF-UHFFFAOYSA-N
MW418.57 g/mol
LogP6.80
Rot. Bonds5

About N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-5-thiophen-2-yl-1,3,4-thiadiazol-2-amine

N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-5-thiophen-2-yl-1,3,4-thiadiazol-2-amine (PubChem CID 108772112) has the molecular formula C21H14N4S3 and a molecular weight of 418.57 g/mol. Its IUPAC name is N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-5-thiophen-2-yl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-5-thiophen-2-yl-1,3,4-thiadiazol-2-amine
PubChem CID108772112
Molecular FormulaC21H14N4S3
Molecular Weight418.57 g/mol
Exact Mass418.04
IUPAC NameN-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-5-thiophen-2-yl-1,3,4-thiadiazol-2-amine
SMILESc1ccc(-c2nc(-c3ccc(Nc4nnc(-c5cccs5)s4)cc3)cs2)cc1
InChIInChI=1S/C21H14N4S3/c1-2-5-15(6-3-1)19-23-17(13-27-19)14-8-10-16(11-9-14)22-21-25-24-20(28-21)18-7-4-12-26-18/h1-13H,(H,22,25)
InChIKeyLYOIWNWBUVXDKF-UHFFFAOYSA-N
XLogP6.80
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.57
LogP ≤ 56.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-5-thiophen-2-yl-1,3,4-thiadiazol-2-amine
CID 108779722
1-N-(4,6-dimethylpyrimidin-2-yl)-4-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)benzene-1,4-diamine
CID 108777594
2-pyridin-4-yl-4-thiophen-2-yl-1,3-thiazole
CID 100596517
2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-thiophen-2-yl-1,3-thiazole
CID 11726073
N-propan-2-yl-5-(2-thiophen-2-yl-1,3-thiazol-4-yl)-1,3,4-thiadiazol-2-amine
CID 82515802
N-(4-methylphenyl)-4-(4-phenylphenyl)-1,3-thiazol-2-amine
CID 2255838
5-phenyl-N-pyridin-4-yl-1,3,4-thiadiazol-2-amine
CID 5147983
3-chloro-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]quinoxalin-2-amine
CID 108772125
N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-6-phenylpyrimidin-4-amine
CID 108779659
2-N-[4-(2-amino-6-thiophen-2-ylpyrimidin-4-yl)phenyl]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine
CID 45113252
carbon dioxide;4-[3-(4-fluorophenyl)phenyl]-2-thiophen-2-yl-1,3-thiazole
CID 159419387
4-[(4-phenyl-1,3-thiazol-2-yl)amino]benzoic acid
CID 877536

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-5-thiophen-2-yl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-5-thiophen-2-yl-1,3,4-thiadiazol-2-amine (CID 108772112) is N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-5-thiophen-2-yl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-5-thiophen-2-yl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-5-thiophen-2-yl-1,3,4-thiadiazol-2-amine is c1ccc(-c2nc(-c3ccc(Nc4nnc(-c5cccs5)s4)cc3)cs2)cc1.
What is the InChIKey of N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-5-thiophen-2-yl-1,3,4-thiadiazol-2-amine?
The InChIKey is LYOIWNWBUVXDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N4S3/c1-2-5-15(6-3-1)19-23-17(13-27-19)14-8-10-16(11-9-14)22-21-25-24-20(28-21)18-7-4-12-26-18/h1-13H,(H,22,25).
What are the key properties of N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-5-thiophen-2-yl-1,3,4-thiadiazol-2-amine?
N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-5-thiophen-2-yl-1,3,4-thiadiazol-2-amine has a molecular weight of 418.57 g/mol, XLogP of 6.80, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-5-thiophen-2-yl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 108772112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).