1-[1,3-dimethyl-5-(1,3-thiazol-2-ylsulfanyl)pyrazol-4-yl]-N-methylmethanamine

C10H14N4S2 — CID 63813155

IUPAC1-[1,3-dimethyl-5-(1,3-thiazol-2-ylsulfanyl)pyrazol-4-yl]-N-methylmethanamine
SMILESCNCc1c(C)nn(C)c1Sc1nccs1
InChIInChI=1S/C10H14N4S2/c1-7-8(6-11-2)9(14(3)13-7)16-10-12-4-5-15-10/h4-5,11H,6H2,1-3H3
InChIKeyFNYJNSFAPXSSDY-UHFFFAOYSA-N
MW254.38 g/mol
LogP2.06
Rot. Bonds4

About 1-[1,3-dimethyl-5-(1,3-thiazol-2-ylsulfanyl)pyrazol-4-yl]-N-methylmethanamine

1-[1,3-dimethyl-5-(1,3-thiazol-2-ylsulfanyl)pyrazol-4-yl]-N-methylmethanamine (PubChem CID 63813155) has the molecular formula C10H14N4S2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 1-[1,3-dimethyl-5-(1,3-thiazol-2-ylsulfanyl)pyrazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1,3-dimethyl-5-(1,3-thiazol-2-ylsulfanyl)pyrazol-4-yl]-N-methylmethanamine
PubChem CID63813155
Molecular FormulaC10H14N4S2
Molecular Weight254.38 g/mol
Exact Mass254.07
IUPAC Name1-[1,3-dimethyl-5-(1,3-thiazol-2-ylsulfanyl)pyrazol-4-yl]-N-methylmethanamine
SMILESCNCc1c(C)nn(C)c1Sc1nccs1
InChIInChI=1S/C10H14N4S2/c1-7-8(6-11-2)9(14(3)13-7)16-10-12-4-5-15-10/h4-5,11H,6H2,1-3H3
InChIKeyFNYJNSFAPXSSDY-UHFFFAOYSA-N
XLogP2.06
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1,3-dimethyl-5-(1,3-thiazol-2-ylsulfanyl)pyrazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[1,3-dimethyl-5-(1,3-thiazol-2-ylsulfanyl)pyrazol-4-yl]-N-methylmethanamine (CID 63813155) is 1-[1,3-dimethyl-5-(1,3-thiazol-2-ylsulfanyl)pyrazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1,3-dimethyl-5-(1,3-thiazol-2-ylsulfanyl)pyrazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1,3-dimethyl-5-(1,3-thiazol-2-ylsulfanyl)pyrazol-4-yl]-N-methylmethanamine is CNCc1c(C)nn(C)c1Sc1nccs1.
What is the InChIKey of 1-[1,3-dimethyl-5-(1,3-thiazol-2-ylsulfanyl)pyrazol-4-yl]-N-methylmethanamine?
The InChIKey is FNYJNSFAPXSSDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4S2/c1-7-8(6-11-2)9(14(3)13-7)16-10-12-4-5-15-10/h4-5,11H,6H2,1-3H3.
What are the key properties of 1-[1,3-dimethyl-5-(1,3-thiazol-2-ylsulfanyl)pyrazol-4-yl]-N-methylmethanamine?
1-[1,3-dimethyl-5-(1,3-thiazol-2-ylsulfanyl)pyrazol-4-yl]-N-methylmethanamine has a molecular weight of 254.38 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,3-dimethyl-5-(1,3-thiazol-2-ylsulfanyl)pyrazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 63813155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).