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

C15H22N4S — CID 83092056

IUPACN-[(1,3-dimethylpyrazol-4-yl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine
SMILESCCc1nc(C(NC2CC2)c2cn(C)nc2C)sc1C
InChIInChI=1S/C15H22N4S/c1-5-13-10(3)20-15(17-13)14(16-11-6-7-11)12-8-19(4)18-9(12)2/h8,11,14,16H,5-7H2,1-4H3
InChIKeyHEVOJFDAKNUBQG-UHFFFAOYSA-N
MW290.44 g/mol
LogP2.90
Rot. Bonds5

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

N-[(1,3-dimethylpyrazol-4-yl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine (PubChem CID 83092056) has the molecular formula C15H22N4S and a molecular weight of 290.44 g/mol. Its IUPAC name is N-[(1,3-dimethylpyrazol-4-yl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(1,3-dimethylpyrazol-4-yl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine
PubChem CID83092056
Molecular FormulaC15H22N4S
Molecular Weight290.44 g/mol
Exact Mass290.16
IUPAC NameN-[(1,3-dimethylpyrazol-4-yl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine
SMILESCCc1nc(C(NC2CC2)c2cn(C)nc2C)sc1C
InChIInChI=1S/C15H22N4S/c1-5-13-10(3)20-15(17-13)14(16-11-6-7-11)12-8-19(4)18-9(12)2/h8,11,14,16H,5-7H2,1-4H3
InChIKeyHEVOJFDAKNUBQG-UHFFFAOYSA-N
XLogP2.90
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.44
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine (CID 83092056) is N-[(1,3-dimethylpyrazol-4-yl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(1,3-dimethylpyrazol-4-yl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(1,3-dimethylpyrazol-4-yl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine is CCc1nc(C(NC2CC2)c2cn(C)nc2C)sc1C.
What is the InChIKey of N-[(1,3-dimethylpyrazol-4-yl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine?
The InChIKey is HEVOJFDAKNUBQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4S/c1-5-13-10(3)20-15(17-13)14(16-11-6-7-11)12-8-19(4)18-9(12)2/h8,11,14,16H,5-7H2,1-4H3.
What are the key properties of N-[(1,3-dimethylpyrazol-4-yl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine?
N-[(1,3-dimethylpyrazol-4-yl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine has a molecular weight of 290.44 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylpyrazol-4-yl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine is sourced from PubChem (CID 83092056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).