N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine

C14H22N4S — CID 102812689

IUPACN-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
SMILESCCNC(Cc1nc(C)cs1)c1cn(C)nc1CC
InChIInChI=1S/C14H22N4S/c1-5-12-11(8-18(4)17-12)13(15-6-2)7-14-16-10(3)9-19-14/h8-9,13,15H,5-7H2,1-4H3
InChIKeySBJLWMSCXMUOLM-UHFFFAOYSA-N
MW278.42 g/mol
LogP2.64
Rot. Bonds6

About N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine

N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine (PubChem CID 102812689) has the molecular formula C14H22N4S and a molecular weight of 278.42 g/mol. Its IUPAC name is N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
PubChem CID102812689
Molecular FormulaC14H22N4S
Molecular Weight278.42 g/mol
Exact Mass278.16
IUPAC NameN-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
SMILESCCNC(Cc1nc(C)cs1)c1cn(C)nc1CC
InChIInChI=1S/C14H22N4S/c1-5-12-11(8-18(4)17-12)13(15-6-2)7-14-16-10(3)9-19-14/h8-9,13,15H,5-7H2,1-4H3
InChIKeySBJLWMSCXMUOLM-UHFFFAOYSA-N
XLogP2.64
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine with MolForge

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Related Compounds

N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)-2-thiophen-3-ylethanamine
CID 102812215
N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)-1-(2-methylthiophen-3-yl)ethanamine
CID 102832315
1-(2-chlorophenyl)-N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 62794990
1-(2-chlorofuran-3-yl)-N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 106692760
N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)-1-(3-propyltriazol-4-yl)ethanamine
CID 114687571
N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)hexan-1-amine
CID 102812165
1-(1-benzothiophen-7-yl)-N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 81153300
1-(2,5-dichlorophenyl)-N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 62797403
1-(2-tert-butylphenyl)-N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 105019330
N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)-4,4,4-trifluorobutan-1-amine
CID 102812485
1-(3-bromo-2-fluorophenyl)-N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 106645514
2-(2,5-dichlorophenyl)-N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)ethanamine
CID 102812420

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The IUPAC name of N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine (CID 102812689) is N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine is CCNC(Cc1nc(C)cs1)c1cn(C)nc1CC.
What is the InChIKey of N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The InChIKey is SBJLWMSCXMUOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4S/c1-5-12-11(8-18(4)17-12)13(15-6-2)7-14-16-10(3)9-19-14/h8-9,13,15H,5-7H2,1-4H3.
What are the key properties of N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine?
N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine has a molecular weight of 278.42 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 102812689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).