2-(aminomethyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide

C11H15N5O2S — CID 66377447

IUPAC2-(aminomethyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide
SMILESCOCCn1cc(NC(=O)c2csc(CN)n2)cn1
InChIInChI=1S/C11H15N5O2S/c1-18-3-2-16-6-8(5-13-16)14-11(17)9-7-19-10(4-12)15-9/h5-7H,2-4,12H2,1H3,(H,14,17)
InChIKeySWXVFEFHEMTKLZ-UHFFFAOYSA-N
MW281.34 g/mol
LogP0.70
Rot. Bonds6

About 2-(aminomethyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide

2-(aminomethyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide (PubChem CID 66377447) has the molecular formula C11H15N5O2S and a molecular weight of 281.34 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide
PubChem CID66377447
Molecular FormulaC11H15N5O2S
Molecular Weight281.34 g/mol
Exact Mass281.09
IUPAC Name2-(aminomethyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide
SMILESCOCCn1cc(NC(=O)c2csc(CN)n2)cn1
InChIInChI=1S/C11H15N5O2S/c1-18-3-2-16-6-8(5-13-16)14-11(17)9-7-19-10(4-12)15-9/h5-7H,2-4,12H2,1H3,(H,14,17)
InChIKeySWXVFEFHEMTKLZ-UHFFFAOYSA-N
XLogP0.70
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2-aminoethyl)-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 66390582
2-(aminomethyl)-N-[6-(2-methoxyethoxy)-3-pyridinyl]-1,3-thiazole-4-carboxamide
CID 66376658
2-(aminomethyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 114130714
5-hydrazinyl-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyrazine-2-carboxamide
CID 107377908
(2R)-2-amino-N-[1-(2-methoxyethyl)pyrazol-4-yl]propanamide;hydrochloride
CID 119292252
2-(aminomethyl)-N-[2-(2-methoxyethoxy)ethyl]-1,3-thiazole-4-carboxamide
CID 66377889
2-amino-N-[1-(2-methoxyethyl)pyrazol-4-yl]-2-thiophen-2-ylacetamide
CID 115286389
2-(aminomethyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyridine-4-carboxamide
CID 114325867
2-amino-N-[1-(2-methoxyethyl)pyrazol-4-yl]-3-methylbutanamide;hydrochloride
CID 119292257
2,6-dihydroxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzamide
CID 103749044
2-(aminomethyl)-N-(2-methylpyrazol-3-yl)-1,3-thiazole-4-carboxamide
CID 66377879
2-(aminomethyl)-N-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 66378569

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide (CID 66377447) is 2-(aminomethyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide is COCCn1cc(NC(=O)c2csc(CN)n2)cn1.
What is the InChIKey of 2-(aminomethyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is SWXVFEFHEMTKLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2S/c1-18-3-2-16-6-8(5-13-16)14-11(17)9-7-19-10(4-12)15-9/h5-7H,2-4,12H2,1H3,(H,14,17).
What are the key properties of 2-(aminomethyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide?
2-(aminomethyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 281.34 g/mol, XLogP of 0.70, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 66377447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).