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

C11H16N4S — CID 112644586

IUPACN-[[1-(1,3-thiazol-5-ylmethyl)pyrazol-3-yl]methyl]propan-1-amine
SMILESCCCNCc1ccn(Cc2cncs2)n1
InChIInChI=1S/C11H16N4S/c1-2-4-12-6-10-3-5-15(14-10)8-11-7-13-9-16-11/h3,5,7,9,12H,2,4,6,8H2,1H3
InChIKeyUURGRKHPKGFPRE-UHFFFAOYSA-N
MW236.34 g/mol
LogP1.89
Rot. Bonds6

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

N-[[1-(1,3-thiazol-5-ylmethyl)pyrazol-3-yl]methyl]propan-1-amine (PubChem CID 112644586) has the molecular formula C11H16N4S and a molecular weight of 236.34 g/mol. Its IUPAC name is N-[[1-(1,3-thiazol-5-ylmethyl)pyrazol-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-(1,3-thiazol-5-ylmethyl)pyrazol-3-yl]methyl]propan-1-amine
PubChem CID112644586
Molecular FormulaC11H16N4S
Molecular Weight236.34 g/mol
Exact Mass236.11
IUPAC NameN-[[1-(1,3-thiazol-5-ylmethyl)pyrazol-3-yl]methyl]propan-1-amine
SMILESCCCNCc1ccn(Cc2cncs2)n1
InChIInChI=1S/C11H16N4S/c1-2-4-12-6-10-3-5-15(14-10)8-11-7-13-9-16-11/h3,5,7,9,12H,2,4,6,8H2,1H3
InChIKeyUURGRKHPKGFPRE-UHFFFAOYSA-N
XLogP1.89
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 51.89
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-[[1-(2,2-difluoroethyl)pyrazol-3-yl]methyl]propan-1-amine
CID 122168966
N-[[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrazol-3-yl]methyl]propan-1-amine
CID 64777182
N-[[1-[(2-chloro-5-fluorophenyl)methyl]pyrazol-3-yl]methyl]propan-1-amine
CID 102620396
N-[(1-pyrimidin-5-ylpyrazol-3-yl)methyl]propan-1-amine
CID 107590369
N-(1,3-thiazol-5-ylmethyl)heptan-1-amine
CID 115732008
N-[(1-ethylpyrazol-3-yl)methyl]pentan-1-amine;hydrochloride
CID 126968027
N-[[3-methyl-1-(1,3-thiazol-5-ylmethyl)pyrazol-4-yl]methyl]ethanamine
CID 112644558
N'-ethyl-N'-propyl-N-(1,3-thiazol-5-ylmethyl)ethane-1,2-diamine
CID 115732705
N-[[1-[(5,5-dimethyloxolan-2-yl)methyl]pyrazol-3-yl]methyl]propan-1-amine
CID 116524241
N-[[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]thiophen-2-yl]methyl]propan-1-amine
CID 107557810
N-[[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 62442544
N-[[3-ethoxy-4-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]propan-1-amine
CID 115978862

Frequently Asked Questions

What is the IUPAC name of N-[[1-(1,3-thiazol-5-ylmethyl)pyrazol-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-(1,3-thiazol-5-ylmethyl)pyrazol-3-yl]methyl]propan-1-amine (CID 112644586) is N-[[1-(1,3-thiazol-5-ylmethyl)pyrazol-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-(1,3-thiazol-5-ylmethyl)pyrazol-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-(1,3-thiazol-5-ylmethyl)pyrazol-3-yl]methyl]propan-1-amine is CCCNCc1ccn(Cc2cncs2)n1.
What is the InChIKey of N-[[1-(1,3-thiazol-5-ylmethyl)pyrazol-3-yl]methyl]propan-1-amine?
The InChIKey is UURGRKHPKGFPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4S/c1-2-4-12-6-10-3-5-15(14-10)8-11-7-13-9-16-11/h3,5,7,9,12H,2,4,6,8H2,1H3.
What are the key properties of N-[[1-(1,3-thiazol-5-ylmethyl)pyrazol-3-yl]methyl]propan-1-amine?
N-[[1-(1,3-thiazol-5-ylmethyl)pyrazol-3-yl]methyl]propan-1-amine has a molecular weight of 236.34 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1,3-thiazol-5-ylmethyl)pyrazol-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 112644586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).