N-[[5-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]methyl]-1-(oxolan-2-yl)methanamine

C15H16Cl2N2OS — CID 53272137

IUPACN-[[5-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]methyl]-1-(oxolan-2-yl)methanamine
SMILESClc1ccc(-c2cnc(CNCC3CCCO3)s2)c(Cl)c1
InChIInChI=1S/C15H16Cl2N2OS/c16-10-3-4-12(13(17)6-10)14-8-19-15(21-14)9-18-7-11-2-1-5-20-11/h3-4,6,8,11,18H,1-2,5,7,9H2
InChIKeyLFKBFKXESSBCHH-UHFFFAOYSA-N
MW343.28 g/mol
LogP4.39
Rot. Bonds5

About N-[[5-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]methyl]-1-(oxolan-2-yl)methanamine

N-[[5-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]methyl]-1-(oxolan-2-yl)methanamine (PubChem CID 53272137) has the molecular formula C15H16Cl2N2OS and a molecular weight of 343.28 g/mol. Its IUPAC name is N-[[5-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]methyl]-1-(oxolan-2-yl)methanamine.

Molecular Properties

Compound NameN-[[5-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]methyl]-1-(oxolan-2-yl)methanamine
PubChem CID53272137
Molecular FormulaC15H16Cl2N2OS
Molecular Weight343.28 g/mol
Exact Mass342.04
IUPAC NameN-[[5-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]methyl]-1-(oxolan-2-yl)methanamine
SMILESClc1ccc(-c2cnc(CNCC3CCCO3)s2)c(Cl)c1
InChIInChI=1S/C15H16Cl2N2OS/c16-10-3-4-12(13(17)6-10)14-8-19-15(21-14)9-18-7-11-2-1-5-20-11/h3-4,6,8,11,18H,1-2,5,7,9H2
InChIKeyLFKBFKXESSBCHH-UHFFFAOYSA-N
XLogP4.39
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.28
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]methyl]-1-(oxolan-2-yl)methanamine?
The IUPAC name of N-[[5-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]methyl]-1-(oxolan-2-yl)methanamine (CID 53272137) is N-[[5-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]methyl]-1-(oxolan-2-yl)methanamine.
What is the SMILES notation for N-[[5-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]methyl]-1-(oxolan-2-yl)methanamine?
The canonical SMILES for N-[[5-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]methyl]-1-(oxolan-2-yl)methanamine is Clc1ccc(-c2cnc(CNCC3CCCO3)s2)c(Cl)c1.
What is the InChIKey of N-[[5-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]methyl]-1-(oxolan-2-yl)methanamine?
The InChIKey is LFKBFKXESSBCHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2OS/c16-10-3-4-12(13(17)6-10)14-8-19-15(21-14)9-18-7-11-2-1-5-20-11/h3-4,6,8,11,18H,1-2,5,7,9H2.
What are the key properties of N-[[5-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]methyl]-1-(oxolan-2-yl)methanamine?
N-[[5-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]methyl]-1-(oxolan-2-yl)methanamine has a molecular weight of 343.28 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]methyl]-1-(oxolan-2-yl)methanamine is sourced from PubChem (CID 53272137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).