1-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]cyclobutan-1-amine

C13H12Cl2N2S — CID 62943829

IUPAC1-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]cyclobutan-1-amine
SMILESNC1(c2nc(-c3ccc(Cl)c(Cl)c3)cs2)CCC1
InChIInChI=1S/C13H12Cl2N2S/c14-9-3-2-8(6-10(9)15)11-7-18-12(17-11)13(16)4-1-5-13/h2-3,6-7H,1,4-5,16H2
InChIKeyACIQBAQHDRLIPA-UHFFFAOYSA-N
MW299.23 g/mol
LogP4.45
Rot. Bonds2

About 1-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]cyclobutan-1-amine

1-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]cyclobutan-1-amine (PubChem CID 62943829) has the molecular formula C13H12Cl2N2S and a molecular weight of 299.23 g/mol. Its IUPAC name is 1-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]cyclobutan-1-amine
PubChem CID62943829
Molecular FormulaC13H12Cl2N2S
Molecular Weight299.23 g/mol
Exact Mass298.01
IUPAC Name1-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]cyclobutan-1-amine
SMILESNC1(c2nc(-c3ccc(Cl)c(Cl)c3)cs2)CCC1
InChIInChI=1S/C13H12Cl2N2S/c14-9-3-2-8(6-10(9)15)11-7-18-12(17-11)13(16)4-1-5-13/h2-3,6-7H,1,4-5,16H2
InChIKeyACIQBAQHDRLIPA-UHFFFAOYSA-N
XLogP4.45
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.23
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]cyclobutan-1-amine?
The IUPAC name of 1-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]cyclobutan-1-amine (CID 62943829) is 1-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]cyclobutan-1-amine.
What is the SMILES notation for 1-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]cyclobutan-1-amine?
The canonical SMILES for 1-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]cyclobutan-1-amine is NC1(c2nc(-c3ccc(Cl)c(Cl)c3)cs2)CCC1.
What is the InChIKey of 1-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]cyclobutan-1-amine?
The InChIKey is ACIQBAQHDRLIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2S/c14-9-3-2-8(6-10(9)15)11-7-18-12(17-11)13(16)4-1-5-13/h2-3,6-7H,1,4-5,16H2.
What are the key properties of 1-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]cyclobutan-1-amine?
1-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]cyclobutan-1-amine has a molecular weight of 299.23 g/mol, XLogP of 4.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]cyclobutan-1-amine is sourced from PubChem (CID 62943829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).