3,5-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazol-4-amine

C10H14N4S — CID 43547138

IUPAC3,5-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazol-4-amine
SMILESCc1nc(CNc2c(C)n[nH]c2C)cs1
InChIInChI=1S/C10H14N4S/c1-6-10(7(2)14-13-6)11-4-9-5-15-8(3)12-9/h5,11H,4H2,1-3H3,(H,13,14)
InChIKeyIXSFBMMFWZIZDM-UHFFFAOYSA-N
MW222.32 g/mol
LogP2.40
Rot. Bonds3

About 3,5-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazol-4-amine

3,5-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazol-4-amine (PubChem CID 43547138) has the molecular formula C10H14N4S and a molecular weight of 222.32 g/mol. Its IUPAC name is 3,5-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazol-4-amine.

Molecular Properties

Compound Name3,5-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazol-4-amine
PubChem CID43547138
Molecular FormulaC10H14N4S
Molecular Weight222.32 g/mol
Exact Mass222.09
IUPAC Name3,5-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazol-4-amine
SMILESCc1nc(CNc2c(C)n[nH]c2C)cs1
InChIInChI=1S/C10H14N4S/c1-6-10(7(2)14-13-6)11-4-9-5-15-8(3)12-9/h5,11H,4H2,1-3H3,(H,13,14)
InChIKeyIXSFBMMFWZIZDM-UHFFFAOYSA-N
XLogP2.40
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.32
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazol-4-amine?
The IUPAC name of 3,5-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazol-4-amine (CID 43547138) is 3,5-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazol-4-amine.
What is the SMILES notation for 3,5-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazol-4-amine?
The canonical SMILES for 3,5-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazol-4-amine is Cc1nc(CNc2c(C)n[nH]c2C)cs1.
What is the InChIKey of 3,5-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazol-4-amine?
The InChIKey is IXSFBMMFWZIZDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4S/c1-6-10(7(2)14-13-6)11-4-9-5-15-8(3)12-9/h5,11H,4H2,1-3H3,(H,13,14).
What are the key properties of 3,5-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazol-4-amine?
3,5-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazol-4-amine has a molecular weight of 222.32 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazol-4-amine is sourced from PubChem (CID 43547138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).