1-(2-piperidin-1-ylethyl)-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrazol-4-amine

C18H23N5S2 — CID 75444014

IUPAC1-(2-piperidin-1-ylethyl)-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrazol-4-amine
SMILESc1cc(-c2nc(CNc3cnn(CCN4CCCCC4)c3)cs2)cs1
InChIInChI=1S/C18H23N5S2/c1-2-5-22(6-3-1)7-8-23-12-16(11-20-23)19-10-17-14-25-18(21-17)15-4-9-24-13-15/h4,9,11-14,19H,1-3,5-8,10H2
InChIKeyDFLGDWHGLKNHOD-UHFFFAOYSA-N
MW373.55 g/mol
LogP4.17
Rot. Bonds7

About 1-(2-piperidin-1-ylethyl)-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrazol-4-amine

1-(2-piperidin-1-ylethyl)-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrazol-4-amine (PubChem CID 75444014) has the molecular formula C18H23N5S2 and a molecular weight of 373.55 g/mol. Its IUPAC name is 1-(2-piperidin-1-ylethyl)-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-(2-piperidin-1-ylethyl)-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrazol-4-amine
PubChem CID75444014
Molecular FormulaC18H23N5S2
Molecular Weight373.55 g/mol
Exact Mass373.14
IUPAC Name1-(2-piperidin-1-ylethyl)-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrazol-4-amine
SMILESc1cc(-c2nc(CNc3cnn(CCN4CCCCC4)c3)cs2)cs1
InChIInChI=1S/C18H23N5S2/c1-2-5-22(6-3-1)7-8-23-12-16(11-20-23)19-10-17-14-25-18(21-17)15-4-9-24-13-15/h4,9,11-14,19H,1-3,5-8,10H2
InChIKeyDFLGDWHGLKNHOD-UHFFFAOYSA-N
XLogP4.17
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.55
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(2-piperidin-1-ylethyl)-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrazol-4-amine?
The IUPAC name of 1-(2-piperidin-1-ylethyl)-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrazol-4-amine (CID 75444014) is 1-(2-piperidin-1-ylethyl)-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrazol-4-amine.
What is the SMILES notation for 1-(2-piperidin-1-ylethyl)-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrazol-4-amine?
The canonical SMILES for 1-(2-piperidin-1-ylethyl)-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrazol-4-amine is c1cc(-c2nc(CNc3cnn(CCN4CCCCC4)c3)cs2)cs1.
What is the InChIKey of 1-(2-piperidin-1-ylethyl)-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrazol-4-amine?
The InChIKey is DFLGDWHGLKNHOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5S2/c1-2-5-22(6-3-1)7-8-23-12-16(11-20-23)19-10-17-14-25-18(21-17)15-4-9-24-13-15/h4,9,11-14,19H,1-3,5-8,10H2.
What are the key properties of 1-(2-piperidin-1-ylethyl)-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrazol-4-amine?
1-(2-piperidin-1-ylethyl)-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrazol-4-amine has a molecular weight of 373.55 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-piperidin-1-ylethyl)-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrazol-4-amine is sourced from PubChem (CID 75444014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).