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

C13H20N4S — CID 62544348

IUPACN-[[4-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazol-2-yl]methyl]propan-1-amine
SMILESCCCNCc1nc(-c2c(C)nn(C)c2C)cs1
InChIInChI=1S/C13H20N4S/c1-5-6-14-7-12-15-11(8-18-12)13-9(2)16-17(4)10(13)3/h8,14H,5-7H2,1-4H3
InChIKeyCKAPIUHNWILJJS-UHFFFAOYSA-N
MW264.40 g/mol
LogP2.66
Rot. Bonds5

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

N-[[4-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazol-2-yl]methyl]propan-1-amine (PubChem CID 62544348) has the molecular formula C13H20N4S and a molecular weight of 264.40 g/mol. Its IUPAC name is N-[[4-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazol-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazol-2-yl]methyl]propan-1-amine
PubChem CID62544348
Molecular FormulaC13H20N4S
Molecular Weight264.40 g/mol
Exact Mass264.14
IUPAC NameN-[[4-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazol-2-yl]methyl]propan-1-amine
SMILESCCCNCc1nc(-c2c(C)nn(C)c2C)cs1
InChIInChI=1S/C13H20N4S/c1-5-6-14-7-12-15-11(8-18-12)13-9(2)16-17(4)10(13)3/h8,14H,5-7H2,1-4H3
InChIKeyCKAPIUHNWILJJS-UHFFFAOYSA-N
XLogP2.66
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.40
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 62543539
N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 62542694
N-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 55129658
N-propan-2-yl-4-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazol-2-amine
CID 62941260
N-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 62544345
N-[[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 62544495
N-[[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 55129516
N-[[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 62543860
[2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazol-4-yl]methanamine
CID 61280679
2,6-ditert-butyl-4-[2-(propylaminomethyl)-1,3-thiazol-4-yl]phenol;hydrochloride
CID 87312849
N-[[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]methyl]-2-methoxyethanamine
CID 62543225
N-[(4-phenyl-1,3-thiazol-2-yl)methyl]octan-1-amine
CID 115566923

Frequently Asked Questions

What is the IUPAC name of N-[[4-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazol-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[4-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazol-2-yl]methyl]propan-1-amine (CID 62544348) is N-[[4-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazol-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazol-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazol-2-yl]methyl]propan-1-amine is CCCNCc1nc(-c2c(C)nn(C)c2C)cs1.
What is the InChIKey of N-[[4-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazol-2-yl]methyl]propan-1-amine?
The InChIKey is CKAPIUHNWILJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4S/c1-5-6-14-7-12-15-11(8-18-12)13-9(2)16-17(4)10(13)3/h8,14H,5-7H2,1-4H3.
What are the key properties of N-[[4-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazol-2-yl]methyl]propan-1-amine?
N-[[4-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazol-2-yl]methyl]propan-1-amine has a molecular weight of 264.40 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazol-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 62544348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).