N-(cyclopentylideneamino)-4-(2,4-dichlorophenyl)-1,3-thiazol-2-amine

C14H13Cl2N3S — CID 3670544

IUPACN-(cyclopentylideneamino)-4-(2,4-dichlorophenyl)-1,3-thiazol-2-amine
SMILESClc1ccc(-c2csc(NN=C3CCCC3)n2)c(Cl)c1
InChIInChI=1S/C14H13Cl2N3S/c15-9-5-6-11(12(16)7-9)13-8-20-14(17-13)19-18-10-3-1-2-4-10/h5-8H,1-4H2,(H,17,19)
InChIKeyLJDWNJHXJAENBL-UHFFFAOYSA-N
MW326.25 g/mol
LogP5.46
Rot. Bonds3

About N-(cyclopentylideneamino)-4-(2,4-dichlorophenyl)-1,3-thiazol-2-amine

N-(cyclopentylideneamino)-4-(2,4-dichlorophenyl)-1,3-thiazol-2-amine (PubChem CID 3670544) has the molecular formula C14H13Cl2N3S and a molecular weight of 326.25 g/mol. Its IUPAC name is N-(cyclopentylideneamino)-4-(2,4-dichlorophenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(cyclopentylideneamino)-4-(2,4-dichlorophenyl)-1,3-thiazol-2-amine
PubChem CID3670544
Molecular FormulaC14H13Cl2N3S
Molecular Weight326.25 g/mol
Exact Mass325.02
IUPAC NameN-(cyclopentylideneamino)-4-(2,4-dichlorophenyl)-1,3-thiazol-2-amine
SMILESClc1ccc(-c2csc(NN=C3CCCC3)n2)c(Cl)c1
InChIInChI=1S/C14H13Cl2N3S/c15-9-5-6-11(12(16)7-9)13-8-20-14(17-13)19-18-10-3-1-2-4-10/h5-8H,1-4H2,(H,17,19)
InChIKeyLJDWNJHXJAENBL-UHFFFAOYSA-N
XLogP5.46
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.25
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylideneamino)-4-(2,4-dichlorophenyl)-1,3-thiazol-2-amine?
The IUPAC name of N-(cyclopentylideneamino)-4-(2,4-dichlorophenyl)-1,3-thiazol-2-amine (CID 3670544) is N-(cyclopentylideneamino)-4-(2,4-dichlorophenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(cyclopentylideneamino)-4-(2,4-dichlorophenyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(cyclopentylideneamino)-4-(2,4-dichlorophenyl)-1,3-thiazol-2-amine is Clc1ccc(-c2csc(NN=C3CCCC3)n2)c(Cl)c1.
What is the InChIKey of N-(cyclopentylideneamino)-4-(2,4-dichlorophenyl)-1,3-thiazol-2-amine?
The InChIKey is LJDWNJHXJAENBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N3S/c15-9-5-6-11(12(16)7-9)13-8-20-14(17-13)19-18-10-3-1-2-4-10/h5-8H,1-4H2,(H,17,19).
What are the key properties of N-(cyclopentylideneamino)-4-(2,4-dichlorophenyl)-1,3-thiazol-2-amine?
N-(cyclopentylideneamino)-4-(2,4-dichlorophenyl)-1,3-thiazol-2-amine has a molecular weight of 326.25 g/mol, XLogP of 5.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylideneamino)-4-(2,4-dichlorophenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 3670544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).