5-[[butyl(methyl)amino]-(2-chlorophenyl)methyl]-1,3-thiazol-2-amine

C15H20ClN3S — CID 90054601

IUPAC5-[[butyl(methyl)amino]-(2-chlorophenyl)methyl]-1,3-thiazol-2-amine
SMILESCCCCN(C)C(c1cnc(N)s1)c1ccccc1Cl
InChIInChI=1S/C15H20ClN3S/c1-3-4-9-19(2)14(13-10-18-15(17)20-13)11-7-5-6-8-12(11)16/h5-8,10,14H,3-4,9H2,1-2H3,(H2,17,18)
InChIKeyCHYSATORNRRRIM-UHFFFAOYSA-N
MW309.87 g/mol
LogP4.20
Rot. Bonds6

About 5-[[butyl(methyl)amino]-(2-chlorophenyl)methyl]-1,3-thiazol-2-amine

5-[[butyl(methyl)amino]-(2-chlorophenyl)methyl]-1,3-thiazol-2-amine (PubChem CID 90054601) has the molecular formula C15H20ClN3S and a molecular weight of 309.87 g/mol. Its IUPAC name is 5-[[butyl(methyl)amino]-(2-chlorophenyl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[[butyl(methyl)amino]-(2-chlorophenyl)methyl]-1,3-thiazol-2-amine
PubChem CID90054601
Molecular FormulaC15H20ClN3S
Molecular Weight309.87 g/mol
Exact Mass309.11
IUPAC Name5-[[butyl(methyl)amino]-(2-chlorophenyl)methyl]-1,3-thiazol-2-amine
SMILESCCCCN(C)C(c1cnc(N)s1)c1ccccc1Cl
InChIInChI=1S/C15H20ClN3S/c1-3-4-9-19(2)14(13-10-18-15(17)20-13)11-7-5-6-8-12(11)16/h5-8,10,14H,3-4,9H2,1-2H3,(H2,17,18)
InChIKeyCHYSATORNRRRIM-UHFFFAOYSA-N
XLogP4.20
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.87
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-butyl-1-(2-chlorophenyl)-1-N-methylpropane-1,2-diamine
CID 55018949
N-[(R)-(2-amino-1,3-thiazol-5-yl)-(2-chlorophenyl)methyl]methanesulfinamide
CID 88932342
6-[1-(2-chlorophenyl)ethyl-methylamino]hexan-1-ol
CID 113251904
5-[[2-amino-1-(2-chlorophenyl)ethyl]-methylamino]pentan-1-ol
CID 107198381
1-(2-chlorophenyl)-N'-methyl-N'-pentan-2-ylpropane-1,3-diamine
CID 62644134
1-(2-chlorophenyl)-N-ethyl-N-methylethanamine
CID 126986399
4-[2-[1-(2-chlorophenyl)ethyl-methylamino]ethyl]-1,3-thiazol-2-amine
CID 65485252
1-(2-chlorophenyl)-N,N'-dimethyl-N'-pentylpropane-1,3-diamine
CID 55099013
1-(2-chlorophenyl)-2-ethylhexan-1-amine
CID 115800977
2-(2-chlorophenyl)nonan-1-amine
CID 79448666
2-[[1-(2-chlorophenyl)ethyl-methylamino]methyl]pyridin-4-amine
CID 79251856
5-(1-aminoethyl)-N-butyl-N-methyl-1,3-thiazol-2-amine
CID 62750832

Frequently Asked Questions

What is the IUPAC name of 5-[[butyl(methyl)amino]-(2-chlorophenyl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[[butyl(methyl)amino]-(2-chlorophenyl)methyl]-1,3-thiazol-2-amine (CID 90054601) is 5-[[butyl(methyl)amino]-(2-chlorophenyl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[[butyl(methyl)amino]-(2-chlorophenyl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[[butyl(methyl)amino]-(2-chlorophenyl)methyl]-1,3-thiazol-2-amine is CCCCN(C)C(c1cnc(N)s1)c1ccccc1Cl.
What is the InChIKey of 5-[[butyl(methyl)amino]-(2-chlorophenyl)methyl]-1,3-thiazol-2-amine?
The InChIKey is CHYSATORNRRRIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3S/c1-3-4-9-19(2)14(13-10-18-15(17)20-13)11-7-5-6-8-12(11)16/h5-8,10,14H,3-4,9H2,1-2H3,(H2,17,18).
What are the key properties of 5-[[butyl(methyl)amino]-(2-chlorophenyl)methyl]-1,3-thiazol-2-amine?
5-[[butyl(methyl)amino]-(2-chlorophenyl)methyl]-1,3-thiazol-2-amine has a molecular weight of 309.87 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[butyl(methyl)amino]-(2-chlorophenyl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 90054601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).