N-[[3,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]methyl]propan-1-amine

C14H22N4S — CID 43647866

IUPACN-[[3,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1c(C)nn(Cc2csc(C)n2)c1C
InChIInChI=1S/C14H22N4S/c1-5-6-15-7-14-10(2)17-18(11(14)3)8-13-9-19-12(4)16-13/h9,15H,5-8H2,1-4H3
InChIKeyKOSUKEYTMAQBSI-UHFFFAOYSA-N
MW278.43 g/mol
LogP2.81
Rot. Bonds6

About N-[[3,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]methyl]propan-1-amine

N-[[3,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]methyl]propan-1-amine (PubChem CID 43647866) has the molecular formula C14H22N4S and a molecular weight of 278.43 g/mol. Its IUPAC name is N-[[3,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]methyl]propan-1-amine
PubChem CID43647866
Molecular FormulaC14H22N4S
Molecular Weight278.43 g/mol
Exact Mass278.16
IUPAC NameN-[[3,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1c(C)nn(Cc2csc(C)n2)c1C
InChIInChI=1S/C14H22N4S/c1-5-6-15-7-14-10(2)17-18(11(14)3)8-13-9-19-12(4)16-13/h9,15H,5-8H2,1-4H3
InChIKeyKOSUKEYTMAQBSI-UHFFFAOYSA-N
XLogP2.81
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.43
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[[3,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]methyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]methyl]propan-1-amine?
The IUPAC name of N-[[3,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]methyl]propan-1-amine (CID 43647866) is N-[[3,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[3,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]methyl]propan-1-amine is CCCNCc1c(C)nn(Cc2csc(C)n2)c1C.
What is the InChIKey of N-[[3,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]methyl]propan-1-amine?
The InChIKey is KOSUKEYTMAQBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4S/c1-5-6-15-7-14-10(2)17-18(11(14)3)8-13-9-19-12(4)16-13/h9,15H,5-8H2,1-4H3.
What are the key properties of N-[[3,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]methyl]propan-1-amine?
N-[[3,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]methyl]propan-1-amine has a molecular weight of 278.43 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 43647866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).