N,N-diethyl-5-[(2-phenylpropylamino)methyl]-1,3-thiazol-2-amine

C17H25N3S — CID 43769127

IUPACN,N-diethyl-5-[(2-phenylpropylamino)methyl]-1,3-thiazol-2-amine
SMILESCCN(CC)c1ncc(CNCC(C)c2ccccc2)s1
InChIInChI=1S/C17H25N3S/c1-4-20(5-2)17-19-13-16(21-17)12-18-11-14(3)15-9-7-6-8-10-15/h6-10,13-14,18H,4-5,11-12H2,1-3H3
InChIKeyJVKMLVIADGWLDI-UHFFFAOYSA-N
MW303.48 g/mol
LogP3.88
Rot. Bonds8

About N,N-diethyl-5-[(2-phenylpropylamino)methyl]-1,3-thiazol-2-amine

N,N-diethyl-5-[(2-phenylpropylamino)methyl]-1,3-thiazol-2-amine (PubChem CID 43769127) has the molecular formula C17H25N3S and a molecular weight of 303.48 g/mol. Its IUPAC name is N,N-diethyl-5-[(2-phenylpropylamino)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN,N-diethyl-5-[(2-phenylpropylamino)methyl]-1,3-thiazol-2-amine
PubChem CID43769127
Molecular FormulaC17H25N3S
Molecular Weight303.48 g/mol
Exact Mass303.18
IUPAC NameN,N-diethyl-5-[(2-phenylpropylamino)methyl]-1,3-thiazol-2-amine
SMILESCCN(CC)c1ncc(CNCC(C)c2ccccc2)s1
InChIInChI=1S/C17H25N3S/c1-4-20(5-2)17-19-13-16(21-17)12-18-11-14(3)15-9-7-6-8-10-15/h6-10,13-14,18H,4-5,11-12H2,1-3H3
InChIKeyJVKMLVIADGWLDI-UHFFFAOYSA-N
XLogP3.88
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 ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-5-[(2-phenylethylamino)methyl]-1,3-thiazol-2-amine
CID 43761852
(2R)-2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-2-phenylethanol
CID 103766281
N-[[2-(diethylamino)-1,3-thiazol-5-yl]methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 43757506
N,N-diethyl-5-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]-1,3-thiazol-2-amine
CID 61282763
N,N-diethyl-5-[(2-methylsulfanylanilino)methyl]-1,3-thiazol-2-amine
CID 43780954
5-[[(5-chlorothiophen-2-yl)methylamino]methyl]-N,N-diethyl-1,3-thiazol-2-amine
CID 62047327
N,N-diethyl-5-[(1-pyridin-4-ylethylamino)methyl]-1,3-thiazol-2-amine
CID 43766835
N-(2-ethoxyethyl)-N-ethyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
CID 63691445
N-ethyl-5-(ethylaminomethyl)-N-(2-methylbutyl)-1,3-thiazol-2-amine
CID 79482761
2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]propanoic acid
CID 54959823
N-ethyl-5-[(2-methylpropylamino)methyl]-N-propan-2-yl-1,3-thiazol-2-amine
CID 55112531
N,N-diethyl-5-[[(5-methyl-1,3-thiazol-2-yl)methylamino]methyl]-1,3-thiazol-2-amine
CID 103700618

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-[(2-phenylpropylamino)methyl]-1,3-thiazol-2-amine?
The IUPAC name of N,N-diethyl-5-[(2-phenylpropylamino)methyl]-1,3-thiazol-2-amine (CID 43769127) is N,N-diethyl-5-[(2-phenylpropylamino)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N,N-diethyl-5-[(2-phenylpropylamino)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N,N-diethyl-5-[(2-phenylpropylamino)methyl]-1,3-thiazol-2-amine is CCN(CC)c1ncc(CNCC(C)c2ccccc2)s1.
What is the InChIKey of N,N-diethyl-5-[(2-phenylpropylamino)methyl]-1,3-thiazol-2-amine?
The InChIKey is JVKMLVIADGWLDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3S/c1-4-20(5-2)17-19-13-16(21-17)12-18-11-14(3)15-9-7-6-8-10-15/h6-10,13-14,18H,4-5,11-12H2,1-3H3.
What are the key properties of N,N-diethyl-5-[(2-phenylpropylamino)methyl]-1,3-thiazol-2-amine?
N,N-diethyl-5-[(2-phenylpropylamino)methyl]-1,3-thiazol-2-amine has a molecular weight of 303.48 g/mol, XLogP of 3.88, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-[(2-phenylpropylamino)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 43769127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).