N-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]methyl]propan-2-amine

C13H14Cl2N2S — CID 55130036

IUPACN-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1nc(-c2ccc(Cl)cc2Cl)cs1
InChIInChI=1S/C13H14Cl2N2S/c1-8(2)16-6-13-17-12(7-18-13)10-4-3-9(14)5-11(10)15/h3-5,7-8,16H,6H2,1-2H3
InChIKeyADMUKNLKEQGJKZ-UHFFFAOYSA-N
MW301.24 g/mol
LogP4.61
Rot. Bonds4

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

N-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]methyl]propan-2-amine (PubChem CID 55130036) has the molecular formula C13H14Cl2N2S and a molecular weight of 301.24 g/mol. Its IUPAC name is N-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]methyl]propan-2-amine
PubChem CID55130036
Molecular FormulaC13H14Cl2N2S
Molecular Weight301.24 g/mol
Exact Mass300.03
IUPAC NameN-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1nc(-c2ccc(Cl)cc2Cl)cs1
InChIInChI=1S/C13H14Cl2N2S/c1-8(2)16-6-13-17-12(7-18-13)10-4-3-9(14)5-11(10)15/h3-5,7-8,16H,6H2,1-2H3
InChIKeyADMUKNLKEQGJKZ-UHFFFAOYSA-N
XLogP4.61
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.24
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]methyl]propan-2-amine (CID 55130036) is N-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]methyl]propan-2-amine is CC(C)NCc1nc(-c2ccc(Cl)cc2Cl)cs1.
What is the InChIKey of N-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]methyl]propan-2-amine?
The InChIKey is ADMUKNLKEQGJKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2S/c1-8(2)16-6-13-17-12(7-18-13)10-4-3-9(14)5-11(10)15/h3-5,7-8,16H,6H2,1-2H3.
What are the key properties of N-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]methyl]propan-2-amine?
N-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]methyl]propan-2-amine has a molecular weight of 301.24 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 55130036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).