N-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-4-(2,5-dichlorophenyl)-1,3-thiazol-2-amine

C25H17Cl4N2OPS — CID 2311143

IUPACN-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-4-(2,5-dichlorophenyl)-1,3-thiazol-2-amine
SMILESO=P(/C=C(\Cl)c1ccccc1)(/C=C(\Cl)c1ccccc1)Nc1nc(-c2cc(Cl)ccc2Cl)cs1
InChIInChI=1S/C25H17Cl4N2OPS/c26-19-11-12-21(27)20(13-19)24-16-34-25(30-24)31-33(32,14-22(28)17-7-3-1-4-8-17)15-23(29)18-9-5-2-6-10-18/h1-16H,(H,30,31,32)/b22-14-,23-15-
InChIKeyZKTLYUWWNQVHLM-VMTNTFKOSA-N
MW566.28 g/mol
LogP10.28
Rot. Bonds7

About N-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-4-(2,5-dichlorophenyl)-1,3-thiazol-2-amine

N-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-4-(2,5-dichlorophenyl)-1,3-thiazol-2-amine (PubChem CID 2311143) has the molecular formula C25H17Cl4N2OPS and a molecular weight of 566.28 g/mol. Its IUPAC name is N-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-4-(2,5-dichlorophenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-4-(2,5-dichlorophenyl)-1,3-thiazol-2-amine
PubChem CID2311143
Molecular FormulaC25H17Cl4N2OPS
Molecular Weight566.28 g/mol
Exact Mass563.96
IUPAC NameN-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-4-(2,5-dichlorophenyl)-1,3-thiazol-2-amine
SMILESO=P(/C=C(\Cl)c1ccccc1)(/C=C(\Cl)c1ccccc1)Nc1nc(-c2cc(Cl)ccc2Cl)cs1
InChIInChI=1S/C25H17Cl4N2OPS/c26-19-11-12-21(27)20(13-19)24-16-34-25(30-24)31-33(32,14-22(28)17-7-3-1-4-8-17)15-23(29)18-9-5-2-6-10-18/h1-16H,(H,30,31,32)/b22-14-,23-15-
InChIKeyZKTLYUWWNQVHLM-VMTNTFKOSA-N
XLogP10.28
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.28
LogP ≤ 510.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

N-[(2-chloro-2-phenylethenyl)-[(E)-2-chloro-2-phenylethenyl]phosphoryl]-4-(2,5-dichlorophenyl)-1,3-thiazol-2-amine
CID 84583047
N-[(2-chloro-2-phenylethenyl)-[(E)-2-chloro-2-phenylethenyl]phosphoryl]-4-(3,4-dichlorophenyl)-1,3-thiazol-2-amine
CID 84583044
N-bis(2-chloro-2-phenylethenyl)phosphoryl-4-(4-nitrophenyl)-1,3-thiazol-2-amine
CID 5192014
[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]hydrazine
CID 7174065
N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-2-methylsulfanylbenzamide
CID 41154126
2,5-dichloro-N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]thiophene-3-carboxamide
CID 3549072
N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-2,6-dimethoxybenzamide
CID 4181945
4-acetamido-N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]benzamide
CID 30731933
N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]furan-3-carboxamide
CID 31847833
N-tert-butyl-4-(2,5-dichlorophenyl)-1,3-thiazol-2-amine
CID 2507086
(3R)-3-benzyl-4-[[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]amino]-4-oxobutanoic acid
CID 46234570
N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]pentanamide
CID 2372983

Frequently Asked Questions

What is the IUPAC name of N-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-4-(2,5-dichlorophenyl)-1,3-thiazol-2-amine?
The IUPAC name of N-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-4-(2,5-dichlorophenyl)-1,3-thiazol-2-amine (CID 2311143) is N-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-4-(2,5-dichlorophenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-4-(2,5-dichlorophenyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-4-(2,5-dichlorophenyl)-1,3-thiazol-2-amine is O=P(/C=C(\Cl)c1ccccc1)(/C=C(\Cl)c1ccccc1)Nc1nc(-c2cc(Cl)ccc2Cl)cs1.
What is the InChIKey of N-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-4-(2,5-dichlorophenyl)-1,3-thiazol-2-amine?
The InChIKey is ZKTLYUWWNQVHLM-VMTNTFKOSA-N. The full InChI is InChI=1S/C25H17Cl4N2OPS/c26-19-11-12-21(27)20(13-19)24-16-34-25(30-24)31-33(32,14-22(28)17-7-3-1-4-8-17)15-23(29)18-9-5-2-6-10-18/h1-16H,(H,30,31,32)/b22-14-,23-15-.
What are the key properties of N-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-4-(2,5-dichlorophenyl)-1,3-thiazol-2-amine?
N-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-4-(2,5-dichlorophenyl)-1,3-thiazol-2-amine has a molecular weight of 566.28 g/mol, XLogP of 10.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-4-(2,5-dichlorophenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 2311143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).