1,3-dimethyl-5-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazole-4,5-diamine

C10H15N5S — CID 63280833

IUPAC1,3-dimethyl-5-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazole-4,5-diamine
SMILESCc1ncsc1CNc1c(N)c(C)nn1C
InChIInChI=1S/C10H15N5S/c1-6-8(16-5-13-6)4-12-10-9(11)7(2)14-15(10)3/h5,12H,4,11H2,1-3H3
InChIKeySUQAZLSLXRKPCV-UHFFFAOYSA-N
MW237.33 g/mol
LogP1.69
Rot. Bonds3

About 1,3-dimethyl-5-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazole-4,5-diamine

1,3-dimethyl-5-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazole-4,5-diamine (PubChem CID 63280833) has the molecular formula C10H15N5S and a molecular weight of 237.33 g/mol. Its IUPAC name is 1,3-dimethyl-5-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazole-4,5-diamine.

Molecular Properties

Compound Name1,3-dimethyl-5-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazole-4,5-diamine
PubChem CID63280833
Molecular FormulaC10H15N5S
Molecular Weight237.33 g/mol
Exact Mass237.10
IUPAC Name1,3-dimethyl-5-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazole-4,5-diamine
SMILESCc1ncsc1CNc1c(N)c(C)nn1C
InChIInChI=1S/C10H15N5S/c1-6-8(16-5-13-6)4-12-10-9(11)7(2)14-15(10)3/h5,12H,4,11H2,1-3H3
InChIKeySUQAZLSLXRKPCV-UHFFFAOYSA-N
XLogP1.69
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 51.69
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-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazole-4,5-diamine?
The IUPAC name of 1,3-dimethyl-5-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazole-4,5-diamine (CID 63280833) is 1,3-dimethyl-5-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazole-4,5-diamine.
What is the SMILES notation for 1,3-dimethyl-5-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazole-4,5-diamine?
The canonical SMILES for 1,3-dimethyl-5-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazole-4,5-diamine is Cc1ncsc1CNc1c(N)c(C)nn1C.
What is the InChIKey of 1,3-dimethyl-5-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazole-4,5-diamine?
The InChIKey is SUQAZLSLXRKPCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5S/c1-6-8(16-5-13-6)4-12-10-9(11)7(2)14-15(10)3/h5,12H,4,11H2,1-3H3.
What are the key properties of 1,3-dimethyl-5-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazole-4,5-diamine?
1,3-dimethyl-5-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazole-4,5-diamine has a molecular weight of 237.33 g/mol, XLogP of 1.69, 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-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazole-4,5-diamine is sourced from PubChem (CID 63280833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).