1-(2-tert-butyl-1,3-thiazol-4-yl)-N-[(2-chloro-6-morpholin-4-ylphenyl)methyl]methanamine

C19H26ClN3OS — CID 126812283

IUPAC1-(2-tert-butyl-1,3-thiazol-4-yl)-N-[(2-chloro-6-morpholin-4-ylphenyl)methyl]methanamine
SMILESCC(C)(C)c1nc(CNCc2c(Cl)cccc2N2CCOCC2)cs1
InChIInChI=1S/C19H26ClN3OS/c1-19(2,3)18-22-14(13-25-18)11-21-12-15-16(20)5-4-6-17(15)23-7-9-24-10-8-23/h4-6,13,21H,7-12H2,1-3H3
InChIKeySETAXXFBWDCHEO-UHFFFAOYSA-N
MW379.96 g/mol
LogP4.22
Rot. Bonds5

About 1-(2-tert-butyl-1,3-thiazol-4-yl)-N-[(2-chloro-6-morpholin-4-ylphenyl)methyl]methanamine

1-(2-tert-butyl-1,3-thiazol-4-yl)-N-[(2-chloro-6-morpholin-4-ylphenyl)methyl]methanamine (PubChem CID 126812283) has the molecular formula C19H26ClN3OS and a molecular weight of 379.96 g/mol. Its IUPAC name is 1-(2-tert-butyl-1,3-thiazol-4-yl)-N-[(2-chloro-6-morpholin-4-ylphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-(2-tert-butyl-1,3-thiazol-4-yl)-N-[(2-chloro-6-morpholin-4-ylphenyl)methyl]methanamine
PubChem CID126812283
Molecular FormulaC19H26ClN3OS
Molecular Weight379.96 g/mol
Exact Mass379.15
IUPAC Name1-(2-tert-butyl-1,3-thiazol-4-yl)-N-[(2-chloro-6-morpholin-4-ylphenyl)methyl]methanamine
SMILESCC(C)(C)c1nc(CNCc2c(Cl)cccc2N2CCOCC2)cs1
InChIInChI=1S/C19H26ClN3OS/c1-19(2,3)18-22-14(13-25-18)11-21-12-15-16(20)5-4-6-17(15)23-7-9-24-10-8-23/h4-6,13,21H,7-12H2,1-3H3
InChIKeySETAXXFBWDCHEO-UHFFFAOYSA-N
XLogP4.22
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.96
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butyl-1,3-thiazol-4-yl)-N-[(2-chloro-6-morpholin-4-ylphenyl)methyl]methanamine?
The IUPAC name of 1-(2-tert-butyl-1,3-thiazol-4-yl)-N-[(2-chloro-6-morpholin-4-ylphenyl)methyl]methanamine (CID 126812283) is 1-(2-tert-butyl-1,3-thiazol-4-yl)-N-[(2-chloro-6-morpholin-4-ylphenyl)methyl]methanamine.
What is the SMILES notation for 1-(2-tert-butyl-1,3-thiazol-4-yl)-N-[(2-chloro-6-morpholin-4-ylphenyl)methyl]methanamine?
The canonical SMILES for 1-(2-tert-butyl-1,3-thiazol-4-yl)-N-[(2-chloro-6-morpholin-4-ylphenyl)methyl]methanamine is CC(C)(C)c1nc(CNCc2c(Cl)cccc2N2CCOCC2)cs1.
What is the InChIKey of 1-(2-tert-butyl-1,3-thiazol-4-yl)-N-[(2-chloro-6-morpholin-4-ylphenyl)methyl]methanamine?
The InChIKey is SETAXXFBWDCHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN3OS/c1-19(2,3)18-22-14(13-25-18)11-21-12-15-16(20)5-4-6-17(15)23-7-9-24-10-8-23/h4-6,13,21H,7-12H2,1-3H3.
What are the key properties of 1-(2-tert-butyl-1,3-thiazol-4-yl)-N-[(2-chloro-6-morpholin-4-ylphenyl)methyl]methanamine?
1-(2-tert-butyl-1,3-thiazol-4-yl)-N-[(2-chloro-6-morpholin-4-ylphenyl)methyl]methanamine has a molecular weight of 379.96 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butyl-1,3-thiazol-4-yl)-N-[(2-chloro-6-morpholin-4-ylphenyl)methyl]methanamine is sourced from PubChem (CID 126812283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).