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

C18H14Cl2N3OPS — CID 6032031

IUPACN-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-1,3,4-thiadiazol-2-amine
SMILESO=P(/C=C(\Cl)c1ccccc1)(/C=C(\Cl)c1ccccc1)Nc1nncs1
InChIInChI=1S/C18H14Cl2N3OPS/c19-16(14-7-3-1-4-8-14)11-25(24,23-18-22-21-13-26-18)12-17(20)15-9-5-2-6-10-15/h1-13H,(H,22,23,24)/b16-11-,17-12-
InChIKeyKKPNQWQOAYEJMX-LSQIQBGYSA-N
MW422.28 g/mol
LogP6.70
Rot. Bonds6

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

N-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-1,3,4-thiadiazol-2-amine (PubChem CID 6032031) has the molecular formula C18H14Cl2N3OPS and a molecular weight of 422.28 g/mol. Its IUPAC name is N-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-1,3,4-thiadiazol-2-amine
PubChem CID6032031
Molecular FormulaC18H14Cl2N3OPS
Molecular Weight422.28 g/mol
Exact Mass421.00
IUPAC NameN-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-1,3,4-thiadiazol-2-amine
SMILESO=P(/C=C(\Cl)c1ccccc1)(/C=C(\Cl)c1ccccc1)Nc1nncs1
InChIInChI=1S/C18H14Cl2N3OPS/c19-16(14-7-3-1-4-8-14)11-25(24,23-18-22-21-13-26-18)12-17(20)15-9-5-2-6-10-15/h1-13H,(H,22,23,24)/b16-11-,17-12-
InChIKeyKKPNQWQOAYEJMX-LSQIQBGYSA-N
XLogP6.70
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.28
LogP ≤ 56.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-1,3,4-thiadiazol-2-amine with MolForge

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Related Compounds

1-[2-[bis(2-chloro-2-phenylethenyl)phosphorylamino]-4-methyl-1,3-thiazol-5-yl]ethanone
CID 5243024
N-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-2-chloroaniline
CID 6257382
3,4-dichloro-N-[[(Z)-2-chloro-2-phenylethenyl]-[(E)-2-chloro-2-phenylethenyl]phosphoryl]aniline
CID 39921399
N-[(2-chloro-2-phenylethenyl)-[(E)-2-chloro-2-phenylethenyl]phosphoryl]-4-(2,5-dichlorophenyl)-1,3-thiazol-2-amine
CID 84583047
N-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-4-(2,5-dichlorophenyl)-1,3-thiazol-2-amine
CID 2311143
N-bis(2-chloro-2-phenylethenyl)phosphoryl-4-fluoroaniline
CID 3661620
N-[[(Z)-2-chloro-2-phenylethenyl]-[(E)-2-chloro-2-phenylethenyl]phosphoryl]-4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-amine
CID 2307309
[(Z)-2-chloro-2-phenylethenyl]phosphonic acid
CID 2249320
N-[[(Z)-2-chloro-2-phenylethenyl]-[(E)-2-chloro-2-phenylethenyl]phosphoryl]-5-[[4-(difluoromethylsulfanyl)phenyl]methyl]-1,3-thiazol-2-amine
CID 2323027
4-benzamido-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 17018933
N-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-2-phenylethanamine
CID 2307241
N-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-2,5-dimethoxyaniline
CID 2317744

Frequently Asked Questions

What is the IUPAC name of N-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-1,3,4-thiadiazol-2-amine (CID 6032031) is N-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-1,3,4-thiadiazol-2-amine is O=P(/C=C(\Cl)c1ccccc1)(/C=C(\Cl)c1ccccc1)Nc1nncs1.
What is the InChIKey of N-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-1,3,4-thiadiazol-2-amine?
The InChIKey is KKPNQWQOAYEJMX-LSQIQBGYSA-N. The full InChI is InChI=1S/C18H14Cl2N3OPS/c19-16(14-7-3-1-4-8-14)11-25(24,23-18-22-21-13-26-18)12-17(20)15-9-5-2-6-10-15/h1-13H,(H,22,23,24)/b16-11-,17-12-.
What are the key properties of N-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-1,3,4-thiadiazol-2-amine?
N-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-1,3,4-thiadiazol-2-amine has a molecular weight of 422.28 g/mol, XLogP of 6.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 6032031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).