1,3-dimethyl-5-N-(1,3-thiazol-2-ylmethyl)pyrazole-4,5-diamine

C9H13N5S — CID 61285224

IUPAC1,3-dimethyl-5-N-(1,3-thiazol-2-ylmethyl)pyrazole-4,5-diamine
SMILESCc1nn(C)c(NCc2nccs2)c1N
InChIInChI=1S/C9H13N5S/c1-6-8(10)9(14(2)13-6)12-5-7-11-3-4-15-7/h3-4,12H,5,10H2,1-2H3
InChIKeyBEMBATHUOULWJE-UHFFFAOYSA-N
MW223.31 g/mol
LogP1.38
Rot. Bonds3

About 1,3-dimethyl-5-N-(1,3-thiazol-2-ylmethyl)pyrazole-4,5-diamine

1,3-dimethyl-5-N-(1,3-thiazol-2-ylmethyl)pyrazole-4,5-diamine (PubChem CID 61285224) has the molecular formula C9H13N5S and a molecular weight of 223.31 g/mol. Its IUPAC name is 1,3-dimethyl-5-N-(1,3-thiazol-2-ylmethyl)pyrazole-4,5-diamine.

Molecular Properties

Compound Name1,3-dimethyl-5-N-(1,3-thiazol-2-ylmethyl)pyrazole-4,5-diamine
PubChem CID61285224
Molecular FormulaC9H13N5S
Molecular Weight223.31 g/mol
Exact Mass223.09
IUPAC Name1,3-dimethyl-5-N-(1,3-thiazol-2-ylmethyl)pyrazole-4,5-diamine
SMILESCc1nn(C)c(NCc2nccs2)c1N
InChIInChI=1S/C9H13N5S/c1-6-8(10)9(14(2)13-6)12-5-7-11-3-4-15-7/h3-4,12H,5,10H2,1-2H3
InChIKeyBEMBATHUOULWJE-UHFFFAOYSA-N
XLogP1.38
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.31
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-N-(1,3-thiazol-2-ylmethyl)pyrazole-4,5-diamine?
The IUPAC name of 1,3-dimethyl-5-N-(1,3-thiazol-2-ylmethyl)pyrazole-4,5-diamine (CID 61285224) is 1,3-dimethyl-5-N-(1,3-thiazol-2-ylmethyl)pyrazole-4,5-diamine.
What is the SMILES notation for 1,3-dimethyl-5-N-(1,3-thiazol-2-ylmethyl)pyrazole-4,5-diamine?
The canonical SMILES for 1,3-dimethyl-5-N-(1,3-thiazol-2-ylmethyl)pyrazole-4,5-diamine is Cc1nn(C)c(NCc2nccs2)c1N.
What is the InChIKey of 1,3-dimethyl-5-N-(1,3-thiazol-2-ylmethyl)pyrazole-4,5-diamine?
The InChIKey is BEMBATHUOULWJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5S/c1-6-8(10)9(14(2)13-6)12-5-7-11-3-4-15-7/h3-4,12H,5,10H2,1-2H3.
What are the key properties of 1,3-dimethyl-5-N-(1,3-thiazol-2-ylmethyl)pyrazole-4,5-diamine?
1,3-dimethyl-5-N-(1,3-thiazol-2-ylmethyl)pyrazole-4,5-diamine has a molecular weight of 223.31 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-N-(1,3-thiazol-2-ylmethyl)pyrazole-4,5-diamine is sourced from PubChem (CID 61285224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).