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

C14H11Cl2N5S — CID 169490570

IUPAC4-(3,4-dichlorophenyl)-N-[(1-methylimidazol-2-yl)methylideneamino]-1,3-thiazol-2-amine
SMILESCn1ccnc1C=NNc1nc(-c2ccc(Cl)c(Cl)c2)cs1
InChIInChI=1S/C14H11Cl2N5S/c1-21-5-4-17-13(21)7-18-20-14-19-12(8-22-14)9-2-3-10(15)11(16)6-9/h2-8H,1H3,(H,19,20)
InChIKeyVVYYYIWZAMWZMT-UHFFFAOYSA-N
MW352.25 g/mol
LogP4.30
Rot. Bonds4

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

4-(3,4-dichlorophenyl)-N-[(1-methylimidazol-2-yl)methylideneamino]-1,3-thiazol-2-amine (PubChem CID 169490570) has the molecular formula C14H11Cl2N5S and a molecular weight of 352.25 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)-N-[(1-methylimidazol-2-yl)methylideneamino]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)-N-[(1-methylimidazol-2-yl)methylideneamino]-1,3-thiazol-2-amine
PubChem CID169490570
Molecular FormulaC14H11Cl2N5S
Molecular Weight352.25 g/mol
Exact Mass351.01
IUPAC Name4-(3,4-dichlorophenyl)-N-[(1-methylimidazol-2-yl)methylideneamino]-1,3-thiazol-2-amine
SMILESCn1ccnc1C=NNc1nc(-c2ccc(Cl)c(Cl)c2)cs1
InChIInChI=1S/C14H11Cl2N5S/c1-21-5-4-17-13(21)7-18-20-14-19-12(8-22-14)9-2-3-10(15)11(16)6-9/h2-8H,1H3,(H,19,20)
InChIKeyVVYYYIWZAMWZMT-UHFFFAOYSA-N
XLogP4.30
TPSA55.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.25
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

4-[2-[2-[(1-methylimidazol-2-yl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]benzonitrile
CID 169490567
4-(3,4-dichlorophenyl)-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 21240106
2-[(E)-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
CID 135685310
N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine
CID 42336469
4-(3,4-dichlorophenyl)-N-[(E)-naphthalen-2-ylmethylideneamino]-1,3-thiazol-2-amine
CID 135391679
N-[[2-(3,4-dichlorophenyl)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577753
4-(3,4-dichlorophenyl)-N-[[2-(difluoromethoxy)phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 2311169
4-(4-chlorophenyl)-N-[(Z)-(3,5-dichloro-4-propoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 110530317
[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazine
CID 7174071
N-[(E)-(3,4-dichlorophenyl)methylideneamino]-4-(3-nitrophenyl)-1,3-thiazol-2-amine
CID 110337726
N-[(4-chloro-3-methoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168578178
N-[(1-methylimidazol-2-yl)methylideneamino]thiophen-2-amine
CID 166749241

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenyl)-N-[(1-methylimidazol-2-yl)methylideneamino]-1,3-thiazol-2-amine?
The IUPAC name of 4-(3,4-dichlorophenyl)-N-[(1-methylimidazol-2-yl)methylideneamino]-1,3-thiazol-2-amine (CID 169490570) is 4-(3,4-dichlorophenyl)-N-[(1-methylimidazol-2-yl)methylideneamino]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(3,4-dichlorophenyl)-N-[(1-methylimidazol-2-yl)methylideneamino]-1,3-thiazol-2-amine?
The canonical SMILES for 4-(3,4-dichlorophenyl)-N-[(1-methylimidazol-2-yl)methylideneamino]-1,3-thiazol-2-amine is Cn1ccnc1C=NNc1nc(-c2ccc(Cl)c(Cl)c2)cs1.
What is the InChIKey of 4-(3,4-dichlorophenyl)-N-[(1-methylimidazol-2-yl)methylideneamino]-1,3-thiazol-2-amine?
The InChIKey is VVYYYIWZAMWZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N5S/c1-21-5-4-17-13(21)7-18-20-14-19-12(8-22-14)9-2-3-10(15)11(16)6-9/h2-8H,1H3,(H,19,20).
What are the key properties of 4-(3,4-dichlorophenyl)-N-[(1-methylimidazol-2-yl)methylideneamino]-1,3-thiazol-2-amine?
4-(3,4-dichlorophenyl)-N-[(1-methylimidazol-2-yl)methylideneamino]-1,3-thiazol-2-amine has a molecular weight of 352.25 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichlorophenyl)-N-[(1-methylimidazol-2-yl)methylideneamino]-1,3-thiazol-2-amine is sourced from PubChem (CID 169490570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).