5-nitro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine

C10H13N5O2S — CID 102770912

IUPAC5-nitro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine
SMILESCc1nn(C)c(C)c1CNc1ncc([N+](=O)[O-])s1
InChIInChI=1S/C10H13N5O2S/c1-6-8(7(2)14(3)13-6)4-11-10-12-5-9(18-10)15(16)17/h5H,4H2,1-3H3,(H,11,12)
InChIKeyYYPGIMSMCNERJD-UHFFFAOYSA-N
MW267.31 g/mol
LogP2.01
Rot. Bonds4

About 5-nitro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine

5-nitro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine (PubChem CID 102770912) has the molecular formula C10H13N5O2S and a molecular weight of 267.31 g/mol. Its IUPAC name is 5-nitro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-nitro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine
PubChem CID102770912
Molecular FormulaC10H13N5O2S
Molecular Weight267.31 g/mol
Exact Mass267.08
IUPAC Name5-nitro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine
SMILESCc1nn(C)c(C)c1CNc1ncc([N+](=O)[O-])s1
InChIInChI=1S/C10H13N5O2S/c1-6-8(7(2)14(3)13-6)4-11-10-12-5-9(18-10)15(16)17/h5H,4H2,1-3H3,(H,11,12)
InChIKeyYYPGIMSMCNERJD-UHFFFAOYSA-N
XLogP2.01
TPSA85.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-nitro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-nitro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine (CID 102770912) is 5-nitro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-nitro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-nitro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine is Cc1nn(C)c(C)c1CNc1ncc([N+](=O)[O-])s1.
What is the InChIKey of 5-nitro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine?
The InChIKey is YYPGIMSMCNERJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2S/c1-6-8(7(2)14(3)13-6)4-11-10-12-5-9(18-10)15(16)17/h5H,4H2,1-3H3,(H,11,12).
What are the key properties of 5-nitro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine?
5-nitro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine has a molecular weight of 267.31 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 102770912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).