1-(5-pyridin-3-yl-1H-pyrazol-4-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine

C13H13N5S — CID 86808837

IUPAC1-(5-pyridin-3-yl-1H-pyrazol-4-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine
SMILESc1cncc(-c2[nH]ncc2CNCc2nccs2)c1
InChIInChI=1S/C13H13N5S/c1-2-10(6-14-3-1)13-11(8-17-18-13)7-15-9-12-16-4-5-19-12/h1-6,8,15H,7,9H2,(H,17,18)
InChIKeyFFEHKTUCDDCKFB-UHFFFAOYSA-N
MW271.35 g/mol
LogP2.22
Rot. Bonds5

About 1-(5-pyridin-3-yl-1H-pyrazol-4-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine

1-(5-pyridin-3-yl-1H-pyrazol-4-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine (PubChem CID 86808837) has the molecular formula C13H13N5S and a molecular weight of 271.35 g/mol. Its IUPAC name is 1-(5-pyridin-3-yl-1H-pyrazol-4-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(5-pyridin-3-yl-1H-pyrazol-4-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine
PubChem CID86808837
Molecular FormulaC13H13N5S
Molecular Weight271.35 g/mol
Exact Mass271.09
IUPAC Name1-(5-pyridin-3-yl-1H-pyrazol-4-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine
SMILESc1cncc(-c2[nH]ncc2CNCc2nccs2)c1
InChIInChI=1S/C13H13N5S/c1-2-10(6-14-3-1)13-11(8-17-18-13)7-15-9-12-16-4-5-19-12/h1-6,8,15H,7,9H2,(H,17,18)
InChIKeyFFEHKTUCDDCKFB-UHFFFAOYSA-N
XLogP2.22
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-pyridin-3-yl-1H-pyrazol-4-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine?
The IUPAC name of 1-(5-pyridin-3-yl-1H-pyrazol-4-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine (CID 86808837) is 1-(5-pyridin-3-yl-1H-pyrazol-4-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine.
What is the SMILES notation for 1-(5-pyridin-3-yl-1H-pyrazol-4-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine?
The canonical SMILES for 1-(5-pyridin-3-yl-1H-pyrazol-4-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine is c1cncc(-c2[nH]ncc2CNCc2nccs2)c1.
What is the InChIKey of 1-(5-pyridin-3-yl-1H-pyrazol-4-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine?
The InChIKey is FFEHKTUCDDCKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5S/c1-2-10(6-14-3-1)13-11(8-17-18-13)7-15-9-12-16-4-5-19-12/h1-6,8,15H,7,9H2,(H,17,18).
What are the key properties of 1-(5-pyridin-3-yl-1H-pyrazol-4-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine?
1-(5-pyridin-3-yl-1H-pyrazol-4-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine has a molecular weight of 271.35 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-pyridin-3-yl-1H-pyrazol-4-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine is sourced from PubChem (CID 86808837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).