4-[1-[5-(aminomethyl)-1,3-thiazol-2-yl]pyrazol-4-yl]-N,N-diethylbutan-1-amine

C15H25N5S — CID 126697247

IUPAC4-[1-[5-(aminomethyl)-1,3-thiazol-2-yl]pyrazol-4-yl]-N,N-diethylbutan-1-amine
SMILESCCN(CC)CCCCc1cnn(-c2ncc(CN)s2)c1
InChIInChI=1S/C15H25N5S/c1-3-19(4-2)8-6-5-7-13-10-18-20(12-13)15-17-11-14(9-16)21-15/h10-12H,3-9,16H2,1-2H3
InChIKeyUJALKQKMCLKMLI-UHFFFAOYSA-N
MW307.47 g/mol
LogP2.45
Rot. Bonds9

About 4-[1-[5-(aminomethyl)-1,3-thiazol-2-yl]pyrazol-4-yl]-N,N-diethylbutan-1-amine

4-[1-[5-(aminomethyl)-1,3-thiazol-2-yl]pyrazol-4-yl]-N,N-diethylbutan-1-amine (PubChem CID 126697247) has the molecular formula C15H25N5S and a molecular weight of 307.47 g/mol. Its IUPAC name is 4-[1-[5-(aminomethyl)-1,3-thiazol-2-yl]pyrazol-4-yl]-N,N-diethylbutan-1-amine.

Molecular Properties

Compound Name4-[1-[5-(aminomethyl)-1,3-thiazol-2-yl]pyrazol-4-yl]-N,N-diethylbutan-1-amine
PubChem CID126697247
Molecular FormulaC15H25N5S
Molecular Weight307.47 g/mol
Exact Mass307.18
IUPAC Name4-[1-[5-(aminomethyl)-1,3-thiazol-2-yl]pyrazol-4-yl]-N,N-diethylbutan-1-amine
SMILESCCN(CC)CCCCc1cnn(-c2ncc(CN)s2)c1
InChIInChI=1S/C15H25N5S/c1-3-19(4-2)8-6-5-7-13-10-18-20(12-13)15-17-11-14(9-16)21-15/h10-12H,3-9,16H2,1-2H3
InChIKeyUJALKQKMCLKMLI-UHFFFAOYSA-N
XLogP2.45
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.47
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(1-methylpyrazol-4-yl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 47298958
N-[(1-ethylpyrazol-4-yl)methyl]-5-propyl-1,3-thiazol-2-amine
CID 75505668
N-methyl-5-[[3-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 139500168
2-[4-(1-Ethylpyrazol-4-yl)piperidin-1-yl]-5-(trifluoromethyl)-1,3-thiazole
CID 121534041
2-[3-(1-Methylpyrazol-4-yl)pyrrolidin-1-yl]-5-(trifluoromethyl)-1,3-thiazole
CID 121534046
2-[(3S)-3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-5-(trifluoromethyl)-1,3-thiazole
CID 124881856
2-[(3R)-3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-5-(trifluoromethyl)-1,3-thiazole
CID 124881863
N-[3-(1-methylpyrazol-4-yl)propyl]-5-(trifluoromethyl)-1,3-thiazol-2-amine
CID 133508596
2-[2-(1-Methylpyrazol-4-yl)pyrrolidin-1-yl]-5-(trifluoromethyl)-1,3-thiazole
CID 133508672
N,N-dimethyl-1-(1-methylpyrazol-4-yl)-N'-[5-(trifluoromethyl)-1,3-thiazol-2-yl]ethane-1,2-diamine
CID 133509150
2-[4-(1-Methylpyrazol-4-yl)piperidin-1-yl]-5-(trifluoromethyl)-1,3-thiazole
CID 133523072
N-[1-(1-methylpyrazol-4-yl)ethyl]-5-(trifluoromethyl)-1,3-thiazol-2-amine
CID 133533884

Frequently Asked Questions

What is the IUPAC name of 4-[1-[5-(aminomethyl)-1,3-thiazol-2-yl]pyrazol-4-yl]-N,N-diethylbutan-1-amine?
The IUPAC name of 4-[1-[5-(aminomethyl)-1,3-thiazol-2-yl]pyrazol-4-yl]-N,N-diethylbutan-1-amine (CID 126697247) is 4-[1-[5-(aminomethyl)-1,3-thiazol-2-yl]pyrazol-4-yl]-N,N-diethylbutan-1-amine.
What is the SMILES notation for 4-[1-[5-(aminomethyl)-1,3-thiazol-2-yl]pyrazol-4-yl]-N,N-diethylbutan-1-amine?
The canonical SMILES for 4-[1-[5-(aminomethyl)-1,3-thiazol-2-yl]pyrazol-4-yl]-N,N-diethylbutan-1-amine is CCN(CC)CCCCc1cnn(-c2ncc(CN)s2)c1.
What is the InChIKey of 4-[1-[5-(aminomethyl)-1,3-thiazol-2-yl]pyrazol-4-yl]-N,N-diethylbutan-1-amine?
The InChIKey is UJALKQKMCLKMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5S/c1-3-19(4-2)8-6-5-7-13-10-18-20(12-13)15-17-11-14(9-16)21-15/h10-12H,3-9,16H2,1-2H3.
What are the key properties of 4-[1-[5-(aminomethyl)-1,3-thiazol-2-yl]pyrazol-4-yl]-N,N-diethylbutan-1-amine?
4-[1-[5-(aminomethyl)-1,3-thiazol-2-yl]pyrazol-4-yl]-N,N-diethylbutan-1-amine has a molecular weight of 307.47 g/mol, XLogP of 2.45, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[5-(aminomethyl)-1,3-thiazol-2-yl]pyrazol-4-yl]-N,N-diethylbutan-1-amine is sourced from PubChem (CID 126697247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).