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

C13H20N4S — CID 62799171

IUPACN-ethyl-1-(1-methylpyrazol-4-yl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
SMILESCCNC(Cc1cnn(C)c1)Cc1csc(C)n1
InChIInChI=1S/C13H20N4S/c1-4-14-12(5-11-7-15-17(3)8-11)6-13-9-18-10(2)16-13/h7-9,12,14H,4-6H2,1-3H3
InChIKeyFBYRSPNVVNVUMG-UHFFFAOYSA-N
MW264.40 g/mol
LogP1.95
Rot. Bonds6

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

N-ethyl-1-(1-methylpyrazol-4-yl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine (PubChem CID 62799171) has the molecular formula C13H20N4S and a molecular weight of 264.40 g/mol. Its IUPAC name is N-ethyl-1-(1-methylpyrazol-4-yl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(1-methylpyrazol-4-yl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
PubChem CID62799171
Molecular FormulaC13H20N4S
Molecular Weight264.40 g/mol
Exact Mass264.14
IUPAC NameN-ethyl-1-(1-methylpyrazol-4-yl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
SMILESCCNC(Cc1cnn(C)c1)Cc1csc(C)n1
InChIInChI=1S/C13H20N4S/c1-4-14-12(5-11-7-15-17(3)8-11)6-13-9-18-10(2)16-13/h7-9,12,14H,4-6H2,1-3H3
InChIKeyFBYRSPNVVNVUMG-UHFFFAOYSA-N
XLogP1.95
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.40
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(1-methylpyrazol-4-yl)-1-(2-methyl-1,3-thiazol-4-yl)butan-2-yl]hydrazine
CID 103026715
N-ethyl-1-(1-methylpyrazol-4-yl)-3-thiophen-3-ylpropan-2-amine
CID 105113824
1-(3,4-dichlorophenyl)-N-ethyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 62798644
1-(3,4-difluorophenyl)-N-ethyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 82922517
N-ethyl-1-(1-methylpyrazol-4-yl)-3-propan-2-yloxypropan-2-amine
CID 105114200
1-(3,5-difluorophenyl)-N-ethyl-3-(1-methylpyrazol-4-yl)propan-2-amine
CID 62125771
2-(1-methylpyrazol-4-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 112730158
N-ethyl-1-(2-methylphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 62798637
[2-(1-methylpyrazol-4-yl)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine
CID 105291161
1-cycloheptyl-N-ethyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 104997127
N-ethyl-4-(2-methylphenyl)-1-(1-methylpyrazol-4-yl)butan-2-amine
CID 105114186
N-ethyl-1-(3-fluorophenyl)-3-(1-methylpyrazol-4-yl)propan-2-amine
CID 62126115

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(1-methylpyrazol-4-yl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine?
The IUPAC name of N-ethyl-1-(1-methylpyrazol-4-yl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine (CID 62799171) is N-ethyl-1-(1-methylpyrazol-4-yl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine.
What is the SMILES notation for N-ethyl-1-(1-methylpyrazol-4-yl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine?
The canonical SMILES for N-ethyl-1-(1-methylpyrazol-4-yl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine is CCNC(Cc1cnn(C)c1)Cc1csc(C)n1.
What is the InChIKey of N-ethyl-1-(1-methylpyrazol-4-yl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine?
The InChIKey is FBYRSPNVVNVUMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4S/c1-4-14-12(5-11-7-15-17(3)8-11)6-13-9-18-10(2)16-13/h7-9,12,14H,4-6H2,1-3H3.
What are the key properties of N-ethyl-1-(1-methylpyrazol-4-yl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine?
N-ethyl-1-(1-methylpyrazol-4-yl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine has a molecular weight of 264.40 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(1-methylpyrazol-4-yl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine is sourced from PubChem (CID 62799171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).