4-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methylpyrazole-3-carboxamide

C10H13N5OS — CID 65354474

IUPAC4-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methylpyrazole-3-carboxamide
SMILESCc1nc(NC(=O)c2nn(C)cc2N)sc1C
InChIInChI=1S/C10H13N5OS/c1-5-6(2)17-10(12-5)13-9(16)8-7(11)4-15(3)14-8/h4H,11H2,1-3H3,(H,12,13,16)
InChIKeyFQNMPUSVESFIMK-UHFFFAOYSA-N
MW251.31 g/mol
LogP1.33
Rot. Bonds2

About 4-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methylpyrazole-3-carboxamide

4-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methylpyrazole-3-carboxamide (PubChem CID 65354474) has the molecular formula C10H13N5OS and a molecular weight of 251.31 g/mol. Its IUPAC name is 4-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methylpyrazole-3-carboxamide
PubChem CID65354474
Molecular FormulaC10H13N5OS
Molecular Weight251.31 g/mol
Exact Mass251.08
IUPAC Name4-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methylpyrazole-3-carboxamide
SMILESCc1nc(NC(=O)c2nn(C)cc2N)sc1C
InChIInChI=1S/C10H13N5OS/c1-5-6(2)17-10(12-5)13-9(16)8-7(11)4-15(3)14-8/h4H,11H2,1-3H3,(H,12,13,16)
InChIKeyFQNMPUSVESFIMK-UHFFFAOYSA-N
XLogP1.33
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methylpyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methylpyrazole-3-carboxamide (CID 65354474) is 4-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methylpyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methylpyrazole-3-carboxamide is Cc1nc(NC(=O)c2nn(C)cc2N)sc1C.
What is the InChIKey of 4-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methylpyrazole-3-carboxamide?
The InChIKey is FQNMPUSVESFIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5OS/c1-5-6(2)17-10(12-5)13-9(16)8-7(11)4-15(3)14-8/h4H,11H2,1-3H3,(H,12,13,16).
What are the key properties of 4-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methylpyrazole-3-carboxamide?
4-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methylpyrazole-3-carboxamide has a molecular weight of 251.31 g/mol, XLogP of 1.33, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 65354474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).