N',N'-dimethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]ethane-1,2-diamine

C14H19N3S — CID 62899204

IUPACN',N'-dimethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]ethane-1,2-diamine
SMILESCN(C)CCNCc1nc(-c2ccccc2)cs1
InChIInChI=1S/C14H19N3S/c1-17(2)9-8-15-10-14-16-13(11-18-14)12-6-4-3-5-7-12/h3-7,11,15H,8-10H2,1-2H3
InChIKeyKNYUHGUEPSCLSD-UHFFFAOYSA-N
MW261.39 g/mol
LogP2.46
Rot. Bonds6

About N',N'-dimethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]ethane-1,2-diamine

N',N'-dimethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]ethane-1,2-diamine (PubChem CID 62899204) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is N',N'-dimethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]ethane-1,2-diamine
PubChem CID62899204
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC NameN',N'-dimethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]ethane-1,2-diamine
SMILESCN(C)CCNCc1nc(-c2ccccc2)cs1
InChIInChI=1S/C14H19N3S/c1-17(2)9-8-15-10-14-16-13(11-18-14)12-6-4-3-5-7-12/h3-7,11,15H,8-10H2,1-2H3
InChIKeyKNYUHGUEPSCLSD-UHFFFAOYSA-N
XLogP2.46
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-2-[(4-phenyl-1,3-thiazol-2-yl)methylamino]ethanesulfonamide
CID 106336093
3-methyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]butan-1-amine
CID 60961920
N-[(4-phenyl-1,3-thiazol-2-yl)methyl]octan-1-amine
CID 115566923
N-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 62543018
3-methylsulfanyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]butan-1-amine
CID 115608434
2-ethylsulfinyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 115632299
1-N,1-N,3-N-trimethyl-4-(4-phenyl-1,3-thiazol-2-yl)butane-1,3-diamine
CID 115346382
2-butoxy-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 62900725
3-(dimethylamino)-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide
CID 110442461
2-methyl-1-[(4-phenyl-1,3-thiazol-2-yl)methylamino]propan-2-ol
CID 63932074
2-cyclopentyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 62900718
N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-2-piperidin-1-ylethanamine
CID 62900558

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]ethane-1,2-diamine (CID 62899204) is N',N'-dimethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]ethane-1,2-diamine is CN(C)CCNCc1nc(-c2ccccc2)cs1.
What is the InChIKey of N',N'-dimethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]ethane-1,2-diamine?
The InChIKey is KNYUHGUEPSCLSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c1-17(2)9-8-15-10-14-16-13(11-18-14)12-6-4-3-5-7-12/h3-7,11,15H,8-10H2,1-2H3.
What are the key properties of N',N'-dimethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]ethane-1,2-diamine?
N',N'-dimethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]ethane-1,2-diamine has a molecular weight of 261.39 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 62899204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).