1-(1-ethenylpyrazol-4-yl)-N-(1,3-thiazol-4-ylmethyl)methanamine

C10H12N4S — CID 106936882

IUPAC1-(1-ethenylpyrazol-4-yl)-N-(1,3-thiazol-4-ylmethyl)methanamine
SMILESC=Cn1cc(CNCc2cscn2)cn1
InChIInChI=1S/C10H12N4S/c1-2-14-6-9(4-13-14)3-11-5-10-7-15-8-12-10/h2,4,6-8,11H,1,3,5H2
InChIKeyITZSVSPFINHXMX-UHFFFAOYSA-N
MW220.30 g/mol
LogP1.73
Rot. Bonds5

About 1-(1-ethenylpyrazol-4-yl)-N-(1,3-thiazol-4-ylmethyl)methanamine

1-(1-ethenylpyrazol-4-yl)-N-(1,3-thiazol-4-ylmethyl)methanamine (PubChem CID 106936882) has the molecular formula C10H12N4S and a molecular weight of 220.30 g/mol. Its IUPAC name is 1-(1-ethenylpyrazol-4-yl)-N-(1,3-thiazol-4-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(1-ethenylpyrazol-4-yl)-N-(1,3-thiazol-4-ylmethyl)methanamine
PubChem CID106936882
Molecular FormulaC10H12N4S
Molecular Weight220.30 g/mol
Exact Mass220.08
IUPAC Name1-(1-ethenylpyrazol-4-yl)-N-(1,3-thiazol-4-ylmethyl)methanamine
SMILESC=Cn1cc(CNCc2cscn2)cn1
InChIInChI=1S/C10H12N4S/c1-2-14-6-9(4-13-14)3-11-5-10-7-15-8-12-10/h2,4,6-8,11H,1,3,5H2
InChIKeyITZSVSPFINHXMX-UHFFFAOYSA-N
XLogP1.73
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-ethenylpyrazol-4-yl)methyl]-1-phenylmethanamine
CID 106935175
N-[(1-ethenylpyrazol-4-yl)methyl]-2,2,2-trifluoroethanamine
CID 106935124
1-(furan-3-yl)-N-(1,3-thiazol-4-ylmethyl)methanamine
CID 61223186
2-[(1-ethenylpyrazol-4-yl)methylamino]-1-thiophen-3-ylethanol
CID 107094754
N-[(1-ethenylpyrazol-4-yl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine
CID 106936577
6-[(1,3-thiazol-4-ylmethylamino)methyl]pyridin-3-ol
CID 79794983
5-[(1-ethenylpyrazol-4-yl)methylamino]pentan-1-ol
CID 107302920
N-[(1-ethenylpyrazol-4-yl)methyl]-1-(3-methyl-1,2-oxazol-5-yl)methanamine
CID 106936741
3-cyclopentyl-N-[(1-ethenylpyrazol-4-yl)methyl]propan-1-amine
CID 107094620
N-[(1-ethenylpyrazol-4-yl)methyl]-2,3,4,5,6-pentafluoroaniline
CID 106937158
N-[(1-ethenylpyrazol-4-yl)methyl]-3-ethylpentan-3-amine
CID 106936949
2,2-dicyclopropyl-N-[(1-ethenylpyrazol-4-yl)methyl]ethanamine
CID 106936989

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethenylpyrazol-4-yl)-N-(1,3-thiazol-4-ylmethyl)methanamine?
The IUPAC name of 1-(1-ethenylpyrazol-4-yl)-N-(1,3-thiazol-4-ylmethyl)methanamine (CID 106936882) is 1-(1-ethenylpyrazol-4-yl)-N-(1,3-thiazol-4-ylmethyl)methanamine.
What is the SMILES notation for 1-(1-ethenylpyrazol-4-yl)-N-(1,3-thiazol-4-ylmethyl)methanamine?
The canonical SMILES for 1-(1-ethenylpyrazol-4-yl)-N-(1,3-thiazol-4-ylmethyl)methanamine is C=Cn1cc(CNCc2cscn2)cn1.
What is the InChIKey of 1-(1-ethenylpyrazol-4-yl)-N-(1,3-thiazol-4-ylmethyl)methanamine?
The InChIKey is ITZSVSPFINHXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4S/c1-2-14-6-9(4-13-14)3-11-5-10-7-15-8-12-10/h2,4,6-8,11H,1,3,5H2.
What are the key properties of 1-(1-ethenylpyrazol-4-yl)-N-(1,3-thiazol-4-ylmethyl)methanamine?
1-(1-ethenylpyrazol-4-yl)-N-(1,3-thiazol-4-ylmethyl)methanamine has a molecular weight of 220.30 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethenylpyrazol-4-yl)-N-(1,3-thiazol-4-ylmethyl)methanamine is sourced from PubChem (CID 106936882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).