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

C17H25N3S — CID 78992240

IUPACN,N-diethyl-N'-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-phenylethane-1,2-diamine
SMILESCCN(CC)C(CNCc1nc(C)cs1)c1ccccc1
InChIInChI=1S/C17H25N3S/c1-4-20(5-2)16(15-9-7-6-8-10-15)11-18-12-17-19-14(3)13-21-17/h6-10,13,16,18H,4-5,11-12H2,1-3H3
InChIKeyRZPPHPPUQANPBZ-UHFFFAOYSA-N
MW303.48 g/mol
LogP3.62
Rot. Bonds8

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

N,N-diethyl-N'-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-phenylethane-1,2-diamine (PubChem CID 78992240) has the molecular formula C17H25N3S and a molecular weight of 303.48 g/mol. Its IUPAC name is N,N-diethyl-N'-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-phenylethane-1,2-diamine.

Molecular Properties

Compound NameN,N-diethyl-N'-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-phenylethane-1,2-diamine
PubChem CID78992240
Molecular FormulaC17H25N3S
Molecular Weight303.48 g/mol
Exact Mass303.18
IUPAC NameN,N-diethyl-N'-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-phenylethane-1,2-diamine
SMILESCCN(CC)C(CNCc1nc(C)cs1)c1ccccc1
InChIInChI=1S/C17H25N3S/c1-4-20(5-2)16(15-9-7-6-8-10-15)11-18-12-17-19-14(3)13-21-17/h6-10,13,16,18H,4-5,11-12H2,1-3H3
InChIKeyRZPPHPPUQANPBZ-UHFFFAOYSA-N
XLogP3.62
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.48
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-hydroxy-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]-2-phenylpropanimidamide
CID 77043906
2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butan-1-amine
CID 61043484
1-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-phenylbutane-1,2-diamine
CID 114929622
1-[(4-methyl-1,3-thiazol-2-yl)methylamino]butan-2-ol
CID 61044334
1-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol
CID 61044333
N',N'-diethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propane-1,3-diamine
CID 78992525
N'-(4-bromo-1,3-thiazol-2-yl)-N,N-diethyl-1-phenylethane-1,2-diamine
CID 79399475
3-[[2-(diethylamino)-2-phenylethyl]amino]propan-1-ol
CID 54940285
N,N-diethyl-1-phenyl-N'-(1,3-thiazol-2-yl)ethane-1,2-diamine
CID 43080477
N,N-diethyl-N'-methyl-1-phenylethane-1,2-diamine
CID 43180194
2-[[2-(diethylamino)-2-phenylethyl]amino]acetonitrile
CID 43199335
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-phenylprop-2-en-1-amine
CID 76940192

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-N'-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-phenylethane-1,2-diamine?
The IUPAC name of N,N-diethyl-N'-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-phenylethane-1,2-diamine (CID 78992240) is N,N-diethyl-N'-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-phenylethane-1,2-diamine.
What is the SMILES notation for N,N-diethyl-N'-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-phenylethane-1,2-diamine?
The canonical SMILES for N,N-diethyl-N'-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-phenylethane-1,2-diamine is CCN(CC)C(CNCc1nc(C)cs1)c1ccccc1.
What is the InChIKey of N,N-diethyl-N'-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-phenylethane-1,2-diamine?
The InChIKey is RZPPHPPUQANPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3S/c1-4-20(5-2)16(15-9-7-6-8-10-15)11-18-12-17-19-14(3)13-21-17/h6-10,13,16,18H,4-5,11-12H2,1-3H3.
What are the key properties of N,N-diethyl-N'-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-phenylethane-1,2-diamine?
N,N-diethyl-N'-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-phenylethane-1,2-diamine has a molecular weight of 303.48 g/mol, XLogP of 3.62, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-N'-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-phenylethane-1,2-diamine is sourced from PubChem (CID 78992240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).