N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-amine

C14H9Cl2N3S2 — CID 110535518

IUPACN-[(Z)-(3,4-dichlorophenyl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-amine
SMILESClc1ccc(/C=N\Nc2nc(-c3cccs3)cs2)cc1Cl
InChIInChI=1S/C14H9Cl2N3S2/c15-10-4-3-9(6-11(10)16)7-17-19-14-18-12(8-21-14)13-2-1-5-20-13/h1-8H,(H,18,19)/b17-7-
InChIKeyUVXSKOREIZDBON-IDUWFGFVSA-N
MW354.29 g/mol
LogP5.62
Rot. Bonds4

About N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-amine

N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-amine (PubChem CID 110535518) has the molecular formula C14H9Cl2N3S2 and a molecular weight of 354.29 g/mol. Its IUPAC name is N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(Z)-(3,4-dichlorophenyl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-amine
PubChem CID110535518
Molecular FormulaC14H9Cl2N3S2
Molecular Weight354.29 g/mol
Exact Mass352.96
IUPAC NameN-[(Z)-(3,4-dichlorophenyl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-amine
SMILESClc1ccc(/C=N\Nc2nc(-c3cccs3)cs2)cc1Cl
InChIInChI=1S/C14H9Cl2N3S2/c15-10-4-3-9(6-11(10)16)7-17-19-14-18-12(8-21-14)13-2-1-5-20-13/h1-8H,(H,18,19)/b17-7-
InChIKeyUVXSKOREIZDBON-IDUWFGFVSA-N
XLogP5.62
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.29
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-pyridin-4-ylmethylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-amine
CID 110539249
N-[(4-methoxyphenyl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-amine
CID 2332955
N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine
CID 42336469
4-thiophen-2-yl-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 110534082
4-(3,4-dichlorophenyl)-N-[(E)-naphthalen-2-ylmethylideneamino]-1,3-thiazol-2-amine
CID 135391679
N-[(Z)-(4-methoxy-3-propoxyphenyl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-amine
CID 110534182
N-[(3-chloro-4-fluorophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577116
N-[(4-bromo-3-chlorophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168579281
N-[(E)-(3,4-dichlorophenyl)methylideneamino]-4-(3-nitrophenyl)-1,3-thiazol-2-amine
CID 110337726
4-(3,4-dichlorophenyl)-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 21240106
N-[(Z)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-amine
CID 110531341
N-[(4-chloro-3-methoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168578178

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-amine?
The IUPAC name of N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-amine (CID 110535518) is N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-amine is Clc1ccc(/C=N\Nc2nc(-c3cccs3)cs2)cc1Cl.
What is the InChIKey of N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-amine?
The InChIKey is UVXSKOREIZDBON-IDUWFGFVSA-N. The full InChI is InChI=1S/C14H9Cl2N3S2/c15-10-4-3-9(6-11(10)16)7-17-19-14-18-12(8-21-14)13-2-1-5-20-13/h1-8H,(H,18,19)/b17-7-.
What are the key properties of N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-amine?
N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-amine has a molecular weight of 354.29 g/mol, XLogP of 5.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 110535518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).