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

C19H18ClN5OS2 — CID 166350151

IUPACN-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-methyl-1-(2-pyrazol-1-yl-1,3-thiazol-5-yl)methanamine
SMILESCN(Cc1csc(COc2ccc(Cl)cc2)n1)Cc1cnc(-n2cccn2)s1
InChIInChI=1S/C19H18ClN5OS2/c1-24(11-17-9-21-19(28-17)25-8-2-7-22-25)10-15-13-27-18(23-15)12-26-16-5-3-14(20)4-6-16/h2-9,13H,10-12H2,1H3
InChIKeyMAMQFWMGELUNBS-UHFFFAOYSA-N
MW431.97 g/mol
LogP4.65
Rot. Bonds8

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

N-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-methyl-1-(2-pyrazol-1-yl-1,3-thiazol-5-yl)methanamine (PubChem CID 166350151) has the molecular formula C19H18ClN5OS2 and a molecular weight of 431.97 g/mol. Its IUPAC name is N-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-methyl-1-(2-pyrazol-1-yl-1,3-thiazol-5-yl)methanamine.

Molecular Properties

Compound NameN-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-methyl-1-(2-pyrazol-1-yl-1,3-thiazol-5-yl)methanamine
PubChem CID166350151
Molecular FormulaC19H18ClN5OS2
Molecular Weight431.97 g/mol
Exact Mass431.06
IUPAC NameN-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-methyl-1-(2-pyrazol-1-yl-1,3-thiazol-5-yl)methanamine
SMILESCN(Cc1csc(COc2ccc(Cl)cc2)n1)Cc1cnc(-n2cccn2)s1
InChIInChI=1S/C19H18ClN5OS2/c1-24(11-17-9-21-19(28-17)25-8-2-7-22-25)10-15-13-27-18(23-15)12-26-16-5-3-14(20)4-6-16/h2-9,13H,10-12H2,1H3
InChIKeyMAMQFWMGELUNBS-UHFFFAOYSA-N
XLogP4.65
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.97
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-methyl-1-(2-pyrazol-1-yl-1,3-thiazol-5-yl)methanamine?
The IUPAC name of N-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-methyl-1-(2-pyrazol-1-yl-1,3-thiazol-5-yl)methanamine (CID 166350151) is N-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-methyl-1-(2-pyrazol-1-yl-1,3-thiazol-5-yl)methanamine.
What is the SMILES notation for N-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-methyl-1-(2-pyrazol-1-yl-1,3-thiazol-5-yl)methanamine?
The canonical SMILES for N-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-methyl-1-(2-pyrazol-1-yl-1,3-thiazol-5-yl)methanamine is CN(Cc1csc(COc2ccc(Cl)cc2)n1)Cc1cnc(-n2cccn2)s1.
What is the InChIKey of N-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-methyl-1-(2-pyrazol-1-yl-1,3-thiazol-5-yl)methanamine?
The InChIKey is MAMQFWMGELUNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN5OS2/c1-24(11-17-9-21-19(28-17)25-8-2-7-22-25)10-15-13-27-18(23-15)12-26-16-5-3-14(20)4-6-16/h2-9,13H,10-12H2,1H3.
What are the key properties of N-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-methyl-1-(2-pyrazol-1-yl-1,3-thiazol-5-yl)methanamine?
N-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-methyl-1-(2-pyrazol-1-yl-1,3-thiazol-5-yl)methanamine has a molecular weight of 431.97 g/mol, XLogP of 4.65, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-methyl-1-(2-pyrazol-1-yl-1,3-thiazol-5-yl)methanamine is sourced from PubChem (CID 166350151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).