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

C9H12N4S — CID 86808836

IUPAC1-(5-methyl-1H-pyrazol-4-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine
SMILESCc1[nH]ncc1CNCc1nccs1
InChIInChI=1S/C9H12N4S/c1-7-8(5-12-13-7)4-10-6-9-11-2-3-14-9/h2-3,5,10H,4,6H2,1H3,(H,12,13)
InChIKeyKVOIXJAHMNVUFV-UHFFFAOYSA-N
MW208.29 g/mol
LogP1.46
Rot. Bonds4

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

1-(5-methyl-1H-pyrazol-4-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine (PubChem CID 86808836) has the molecular formula C9H12N4S and a molecular weight of 208.29 g/mol. Its IUPAC name is 1-(5-methyl-1H-pyrazol-4-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(5-methyl-1H-pyrazol-4-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine
PubChem CID86808836
Molecular FormulaC9H12N4S
Molecular Weight208.29 g/mol
Exact Mass208.08
IUPAC Name1-(5-methyl-1H-pyrazol-4-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine
SMILESCc1[nH]ncc1CNCc1nccs1
InChIInChI=1S/C9H12N4S/c1-7-8(5-12-13-7)4-10-6-9-11-2-3-14-9/h2-3,5,10H,4,6H2,1H3,(H,12,13)
InChIKeyKVOIXJAHMNVUFV-UHFFFAOYSA-N
XLogP1.46
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1H-pyrazol-4-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine?
The IUPAC name of 1-(5-methyl-1H-pyrazol-4-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine (CID 86808836) is 1-(5-methyl-1H-pyrazol-4-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine.
What is the SMILES notation for 1-(5-methyl-1H-pyrazol-4-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine?
The canonical SMILES for 1-(5-methyl-1H-pyrazol-4-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine is Cc1[nH]ncc1CNCc1nccs1.
What is the InChIKey of 1-(5-methyl-1H-pyrazol-4-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine?
The InChIKey is KVOIXJAHMNVUFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4S/c1-7-8(5-12-13-7)4-10-6-9-11-2-3-14-9/h2-3,5,10H,4,6H2,1H3,(H,12,13).
What are the key properties of 1-(5-methyl-1H-pyrazol-4-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine?
1-(5-methyl-1H-pyrazol-4-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine has a molecular weight of 208.29 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1H-pyrazol-4-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine is sourced from PubChem (CID 86808836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).