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

C10H14N4S — CID 86790641

IUPAC5-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine
SMILESCCc1cnc(NCc2cnn(C)c2)s1
InChIInChI=1S/C10H14N4S/c1-3-9-6-12-10(15-9)11-4-8-5-13-14(2)7-8/h5-7H,3-4H2,1-2H3,(H,11,12)
InChIKeyOPYTZAPUQPTDGW-UHFFFAOYSA-N
MW222.32 g/mol
LogP2.05
Rot. Bonds4

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

5-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine (PubChem CID 86790641) has the molecular formula C10H14N4S and a molecular weight of 222.32 g/mol. Its IUPAC name is 5-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine
PubChem CID86790641
Molecular FormulaC10H14N4S
Molecular Weight222.32 g/mol
Exact Mass222.09
IUPAC Name5-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine
SMILESCCc1cnc(NCc2cnn(C)c2)s1
InChIInChI=1S/C10H14N4S/c1-3-9-6-12-10(15-9)11-4-8-5-13-14(2)7-8/h5-7H,3-4H2,1-2H3,(H,11,12)
InChIKeyOPYTZAPUQPTDGW-UHFFFAOYSA-N
XLogP2.05
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.32
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl({[2-(1H-pyrazol-1-yl)-1,3-thiazol-5-yl]methyl})amine
CID 130569346
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-methyl-1,3-thiazol-2-amine
CID 75505608
N-[(1-ethylpyrazol-4-yl)methyl]-5-propyl-1,3-thiazol-2-amine
CID 75505668
5-fluoro-N-methyl-4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-amine
CID 58477505
2,2,2-trifluoro-N-[[2-(4-propan-2-ylpyrazol-1-yl)-1,3-thiazol-5-yl]methyl]acetamide
CID 135323372
(NE,R)-N-[1-[2-(4-fluoropyrazol-1-yl)-1,3-thiazol-5-yl]ethylidene]-2-methylpropane-2-sulfinamide
CID 168853566
(1S)-1-[2-(4-fluoropyrazol-1-yl)-1,3-thiazol-5-yl]ethanamine
CID 168853617
[2-(4-Fluoropyrazol-1-yl)-1,3-thiazol-5-yl]methanamine
CID 170039489
Tert-butyl-[1-[2-(4-fluoropyrazol-1-yl)-1,3-thiazol-5-yl]ethylideneamino]-oxidosulfanium
CID 174090474
(R)-N-[1-[2-(4-fluoropyrazol-1-yl)-1,3-thiazol-5-yl]ethyl]-2-methylpropane-2-sulfinamide
CID 178465892
5-[[4-(Trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazol-2-amine
CID 79774938
N-ethyl-5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazol-2-amine
CID 79774939

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine (CID 86790641) is 5-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine is CCc1cnc(NCc2cnn(C)c2)s1.
What is the InChIKey of 5-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine?
The InChIKey is OPYTZAPUQPTDGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4S/c1-3-9-6-12-10(15-9)11-4-8-5-13-14(2)7-8/h5-7H,3-4H2,1-2H3,(H,11,12).
What are the key properties of 5-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine?
5-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine has a molecular weight of 222.32 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 86790641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).