4-ethyl-N-(3-pyrazol-1-ylpropyl)-1,3-thiazol-2-amine

C11H16N4S — CID 115681727

IUPAC4-ethyl-N-(3-pyrazol-1-ylpropyl)-1,3-thiazol-2-amine
SMILESCCc1csc(NCCCn2cccn2)n1
InChIInChI=1S/C11H16N4S/c1-2-10-9-16-11(14-10)12-5-3-7-15-8-4-6-13-15/h4,6,8-9H,2-3,5,7H2,1H3,(H,12,14)
InChIKeyAXQUACYSSLOMRN-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.40
Rot. Bonds6

About 4-ethyl-N-(3-pyrazol-1-ylpropyl)-1,3-thiazol-2-amine

4-ethyl-N-(3-pyrazol-1-ylpropyl)-1,3-thiazol-2-amine (PubChem CID 115681727) has the molecular formula C11H16N4S and a molecular weight of 236.34 g/mol. Its IUPAC name is 4-ethyl-N-(3-pyrazol-1-ylpropyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-ethyl-N-(3-pyrazol-1-ylpropyl)-1,3-thiazol-2-amine
PubChem CID115681727
Molecular FormulaC11H16N4S
Molecular Weight236.34 g/mol
Exact Mass236.11
IUPAC Name4-ethyl-N-(3-pyrazol-1-ylpropyl)-1,3-thiazol-2-amine
SMILESCCc1csc(NCCCn2cccn2)n1
InChIInChI=1S/C11H16N4S/c1-2-10-9-16-11(14-10)12-5-3-7-15-8-4-6-13-15/h4,6,8-9H,2-3,5,7H2,1H3,(H,12,14)
InChIKeyAXQUACYSSLOMRN-UHFFFAOYSA-N
XLogP2.40
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 ≤ 52.40
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

methyl 3-[2-(3-pyrazol-1-ylpropylamino)-1,3-thiazol-4-yl]propanoate
CID 107040608
N-(3-pyrazol-1-ylpropyl)-1,3-thiazol-2-amine
CID 115579999
3-[2-(2-pyrazol-1-ylethylamino)-1,3-thiazol-4-yl]propanoic acid
CID 103487121
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-3-pyrazol-1-ylpropan-1-amine
CID 115592018
4-[(4-ethyl-1,3-thiazol-2-yl)amino]butan-1-ol
CID 106842633
6-[(4-ethyl-1,3-thiazol-2-yl)amino]hexan-1-ol
CID 103918134
5,6-diethyl-N-(3-pyrazol-1-ylpropyl)-1,2,4-triazin-3-amine
CID 105362808
4-ethyl-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-thiazol-2-amine
CID 62962810
4-ethyl-2-(pyrazol-1-ylmethyl)-1,3-thiazole
CID 130619188
ethyl 5-methyl-2-(3-pyrazol-1-ylpropylamino)-1,3-thiazole-4-carboxylate
CID 116527096
6-N-(3-pyrazol-1-ylpropyl)pyridine-2,3,6-triamine
CID 113412388
N-(3-pyrazol-1-ylpropyl)pyridin-4-amine
CID 115669379

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(3-pyrazol-1-ylpropyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-ethyl-N-(3-pyrazol-1-ylpropyl)-1,3-thiazol-2-amine (CID 115681727) is 4-ethyl-N-(3-pyrazol-1-ylpropyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-ethyl-N-(3-pyrazol-1-ylpropyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-ethyl-N-(3-pyrazol-1-ylpropyl)-1,3-thiazol-2-amine is CCc1csc(NCCCn2cccn2)n1.
What is the InChIKey of 4-ethyl-N-(3-pyrazol-1-ylpropyl)-1,3-thiazol-2-amine?
The InChIKey is AXQUACYSSLOMRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4S/c1-2-10-9-16-11(14-10)12-5-3-7-15-8-4-6-13-15/h4,6,8-9H,2-3,5,7H2,1H3,(H,12,14).
What are the key properties of 4-ethyl-N-(3-pyrazol-1-ylpropyl)-1,3-thiazol-2-amine?
4-ethyl-N-(3-pyrazol-1-ylpropyl)-1,3-thiazol-2-amine has a molecular weight of 236.34 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(3-pyrazol-1-ylpropyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 115681727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).