N'-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N,N-dimethyl-1-phenylethane-1,2-diamine

C17H25N3S — CID 43104171

IUPACN'-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N,N-dimethyl-1-phenylethane-1,2-diamine
SMILESCc1nc(C(C)NCC(c2ccccc2)N(C)C)c(C)s1
InChIInChI=1S/C17H25N3S/c1-12(17-13(2)21-14(3)19-17)18-11-16(20(4)5)15-9-7-6-8-10-15/h6-10,12,16,18H,11H2,1-5H3
InChIKeyHOYFHGKQTBZWFN-UHFFFAOYSA-N
MW303.48 g/mol
LogP3.71
Rot. Bonds6

About N'-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N,N-dimethyl-1-phenylethane-1,2-diamine

N'-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N,N-dimethyl-1-phenylethane-1,2-diamine (PubChem CID 43104171) has the molecular formula C17H25N3S and a molecular weight of 303.48 g/mol. Its IUPAC name is N'-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N,N-dimethyl-1-phenylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N,N-dimethyl-1-phenylethane-1,2-diamine
PubChem CID43104171
Molecular FormulaC17H25N3S
Molecular Weight303.48 g/mol
Exact Mass303.18
IUPAC NameN'-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N,N-dimethyl-1-phenylethane-1,2-diamine
SMILESCc1nc(C(C)NCC(c2ccccc2)N(C)C)c(C)s1
InChIInChI=1S/C17H25N3S/c1-12(17-13(2)21-14(3)19-17)18-11-16(20(4)5)15-9-7-6-8-10-15/h6-10,12,16,18H,11H2,1-5H3
InChIKeyHOYFHGKQTBZWFN-UHFFFAOYSA-N
XLogP3.71
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.48
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-phenylpropan-1-amine
CID 43204647
1-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 43205593
1-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-N,2-N,4-trimethylpentane-1,2-diamine
CID 43207976
N'-[1-(furan-2-yl)ethyl]-N,N-dimethyl-1-phenylethane-1,2-diamine
CID 43201793
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N'-ethyl-N'-methylethane-1,2-diamine
CID 62635360
N-(1,3-benzothiazol-2-ylmethyl)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine
CID 43109519
1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-ethylethanamine
CID 43200501
N,N-dimethyl-N'-[1-(5-methylfuran-2-yl)ethyl]-1-phenylethane-1,2-diamine
CID 43201795
N'-[1-(2-fluorophenyl)ethyl]-N,N-dimethyl-1-phenylethane-1,2-diamine
CID 43201789
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2,2-diethoxyethanamine
CID 79547946
1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[[2-(ethoxymethyl)phenyl]methyl]ethanamine
CID 60924424
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N'-ethyl-N'-propylethane-1,2-diamine
CID 113278109

Frequently Asked Questions

What is the IUPAC name of N'-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N,N-dimethyl-1-phenylethane-1,2-diamine?
The IUPAC name of N'-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N,N-dimethyl-1-phenylethane-1,2-diamine (CID 43104171) is N'-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N,N-dimethyl-1-phenylethane-1,2-diamine.
What is the SMILES notation for N'-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N,N-dimethyl-1-phenylethane-1,2-diamine?
The canonical SMILES for N'-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N,N-dimethyl-1-phenylethane-1,2-diamine is Cc1nc(C(C)NCC(c2ccccc2)N(C)C)c(C)s1.
What is the InChIKey of N'-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N,N-dimethyl-1-phenylethane-1,2-diamine?
The InChIKey is HOYFHGKQTBZWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3S/c1-12(17-13(2)21-14(3)19-17)18-11-16(20(4)5)15-9-7-6-8-10-15/h6-10,12,16,18H,11H2,1-5H3.
What are the key properties of N'-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N,N-dimethyl-1-phenylethane-1,2-diamine?
N'-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N,N-dimethyl-1-phenylethane-1,2-diamine has a molecular weight of 303.48 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N,N-dimethyl-1-phenylethane-1,2-diamine is sourced from PubChem (CID 43104171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).