N-[[4-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine

C15H22N4S — CID 62440800

IUPACN-[[4-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
SMILESCCc1c(C)nn(Cc2csc(CNC3CC3)n2)c1C
InChIInChI=1S/C15H22N4S/c1-4-14-10(2)18-19(11(14)3)8-13-9-20-15(17-13)7-16-12-5-6-12/h9,12,16H,4-8H2,1-3H3
InChIKeyWYQSNYPLFQNLFA-UHFFFAOYSA-N
MW290.44 g/mol
LogP2.82
Rot. Bonds6

About N-[[4-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine

N-[[4-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine (PubChem CID 62440800) has the molecular formula C15H22N4S and a molecular weight of 290.44 g/mol. Its IUPAC name is N-[[4-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
PubChem CID62440800
Molecular FormulaC15H22N4S
Molecular Weight290.44 g/mol
Exact Mass290.16
IUPAC NameN-[[4-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
SMILESCCc1c(C)nn(Cc2csc(CNC3CC3)n2)c1C
InChIInChI=1S/C15H22N4S/c1-4-14-10(2)18-19(11(14)3)8-13-9-20-15(17-13)7-16-12-5-6-12/h9,12,16H,4-8H2,1-3H3
InChIKeyWYQSNYPLFQNLFA-UHFFFAOYSA-N
XLogP2.82
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.44
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[4-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine with MolForge

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Related Compounds

[4-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-1,3-thiazol-2-yl]methanamine
CID 55072800
1-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine
CID 54956367
4-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-1,3-thiazol-2-amine
CID 61238153
N-[[3,5-dimethyl-1-(1,3-thiazol-4-ylmethyl)pyrazol-4-yl]methyl]cyclopropanamine
CID 43648111
N-[[4-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 83221719
2-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3,5-dimethylpyrazol-4-yl]acetic acid
CID 61484583
N-[[4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 114172725
N-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methyl]cyclopropanamine
CID 66192057
N-[[4-[(4-propylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 62439128
N-[[4-(butoxymethyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 62451710
N-[[4-(propoxymethyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 62450778
N-[[4-[(2,2-dimethylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 63218474

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine (CID 62440800) is N-[[4-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine is CCc1c(C)nn(Cc2csc(CNC3CC3)n2)c1C.
What is the InChIKey of N-[[4-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine?
The InChIKey is WYQSNYPLFQNLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4S/c1-4-14-10(2)18-19(11(14)3)8-13-9-20-15(17-13)7-16-12-5-6-12/h9,12,16H,4-8H2,1-3H3.
What are the key properties of N-[[4-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine?
N-[[4-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine has a molecular weight of 290.44 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62440800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).