N,N-diethyl-N'-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-1-phenylethane-1,2-diamine

C20H30N4OS — CID 119110920

IUPACN,N-diethyl-N'-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-1-phenylethane-1,2-diamine
SMILESCCN(CC)C(CNCc1cnc(N2CCOCC2)s1)c1ccccc1
InChIInChI=1S/C20H30N4OS/c1-3-23(4-2)19(17-8-6-5-7-9-17)16-21-14-18-15-22-20(26-18)24-10-12-25-13-11-24/h5-9,15,19,21H,3-4,10-14,16H2,1-2H3
InChIKeyVMHVYMJCBKYARU-UHFFFAOYSA-N
MW374.55 g/mol
LogP3.15
Rot. Bonds9

About N,N-diethyl-N'-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-1-phenylethane-1,2-diamine

N,N-diethyl-N'-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-1-phenylethane-1,2-diamine (PubChem CID 119110920) has the molecular formula C20H30N4OS and a molecular weight of 374.55 g/mol. Its IUPAC name is N,N-diethyl-N'-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-1-phenylethane-1,2-diamine.

Molecular Properties

Compound NameN,N-diethyl-N'-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-1-phenylethane-1,2-diamine
PubChem CID119110920
Molecular FormulaC20H30N4OS
Molecular Weight374.55 g/mol
Exact Mass374.21
IUPAC NameN,N-diethyl-N'-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-1-phenylethane-1,2-diamine
SMILESCCN(CC)C(CNCc1cnc(N2CCOCC2)s1)c1ccccc1
InChIInChI=1S/C20H30N4OS/c1-3-23(4-2)19(17-8-6-5-7-9-17)16-21-14-18-15-22-20(26-18)24-10-12-25-13-11-24/h5-9,15,19,21H,3-4,10-14,16H2,1-2H3
InChIKeyVMHVYMJCBKYARU-UHFFFAOYSA-N
XLogP3.15
TPSA40.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.55
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-N'-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-1-phenylethane-1,2-diamine?
The IUPAC name of N,N-diethyl-N'-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-1-phenylethane-1,2-diamine (CID 119110920) is N,N-diethyl-N'-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-1-phenylethane-1,2-diamine.
What is the SMILES notation for N,N-diethyl-N'-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-1-phenylethane-1,2-diamine?
The canonical SMILES for N,N-diethyl-N'-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-1-phenylethane-1,2-diamine is CCN(CC)C(CNCc1cnc(N2CCOCC2)s1)c1ccccc1.
What is the InChIKey of N,N-diethyl-N'-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-1-phenylethane-1,2-diamine?
The InChIKey is VMHVYMJCBKYARU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4OS/c1-3-23(4-2)19(17-8-6-5-7-9-17)16-21-14-18-15-22-20(26-18)24-10-12-25-13-11-24/h5-9,15,19,21H,3-4,10-14,16H2,1-2H3.
What are the key properties of N,N-diethyl-N'-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-1-phenylethane-1,2-diamine?
N,N-diethyl-N'-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-1-phenylethane-1,2-diamine has a molecular weight of 374.55 g/mol, XLogP of 3.15, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-N'-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-1-phenylethane-1,2-diamine is sourced from PubChem (CID 119110920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).