5-(1-tert-butylpyrazol-4-yl)-4-methyl-1,3-thiazol-2-amine

C11H16N4S — CID 169228380

IUPAC5-(1-tert-butylpyrazol-4-yl)-4-methyl-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1-c1cnn(C(C)(C)C)c1
InChIInChI=1S/C11H16N4S/c1-7-9(16-10(12)14-7)8-5-13-15(6-8)11(2,3)4/h5-6H,1-4H3,(H2,12,14)
InChIKeyCWSQDADCFMNQND-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.65
Rot. Bonds1

About 5-(1-tert-butylpyrazol-4-yl)-4-methyl-1,3-thiazol-2-amine

5-(1-tert-butylpyrazol-4-yl)-4-methyl-1,3-thiazol-2-amine (PubChem CID 169228380) has the molecular formula C11H16N4S and a molecular weight of 236.34 g/mol. Its IUPAC name is 5-(1-tert-butylpyrazol-4-yl)-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(1-tert-butylpyrazol-4-yl)-4-methyl-1,3-thiazol-2-amine
PubChem CID169228380
Molecular FormulaC11H16N4S
Molecular Weight236.34 g/mol
Exact Mass236.11
IUPAC Name5-(1-tert-butylpyrazol-4-yl)-4-methyl-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1-c1cnn(C(C)(C)C)c1
InChIInChI=1S/C11H16N4S/c1-7-9(16-10(12)14-7)8-5-13-15(6-8)11(2,3)4/h5-6H,1-4H3,(H2,12,14)
InChIKeyCWSQDADCFMNQND-UHFFFAOYSA-N
XLogP2.65
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1-tert-butylpyrazol-4-yl)-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of 5-(1-tert-butylpyrazol-4-yl)-4-methyl-1,3-thiazol-2-amine (CID 169228380) is 5-(1-tert-butylpyrazol-4-yl)-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(1-tert-butylpyrazol-4-yl)-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-(1-tert-butylpyrazol-4-yl)-4-methyl-1,3-thiazol-2-amine is Cc1nc(N)sc1-c1cnn(C(C)(C)C)c1.
What is the InChIKey of 5-(1-tert-butylpyrazol-4-yl)-4-methyl-1,3-thiazol-2-amine?
The InChIKey is CWSQDADCFMNQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4S/c1-7-9(16-10(12)14-7)8-5-13-15(6-8)11(2,3)4/h5-6H,1-4H3,(H2,12,14).
What are the key properties of 5-(1-tert-butylpyrazol-4-yl)-4-methyl-1,3-thiazol-2-amine?
5-(1-tert-butylpyrazol-4-yl)-4-methyl-1,3-thiazol-2-amine has a molecular weight of 236.34 g/mol, XLogP of 2.65, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-tert-butylpyrazol-4-yl)-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 169228380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).