1-tert-butyl-N-(1,3-thiazol-4-ylmethyl)pyrazol-4-amine

C11H16N4S — CID 75434824

IUPAC1-tert-butyl-N-(1,3-thiazol-4-ylmethyl)pyrazol-4-amine
SMILESCC(C)(C)n1cc(NCc2cscn2)cn1
InChIInChI=1S/C11H16N4S/c1-11(2,3)15-6-9(5-14-15)12-4-10-7-16-8-13-10/h5-8,12H,4H2,1-3H3
InChIKeyFBENDQWRMLLSEB-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.71
Rot. Bonds3

About 1-tert-butyl-N-(1,3-thiazol-4-ylmethyl)pyrazol-4-amine

1-tert-butyl-N-(1,3-thiazol-4-ylmethyl)pyrazol-4-amine (PubChem CID 75434824) has the molecular formula C11H16N4S and a molecular weight of 236.34 g/mol. Its IUPAC name is 1-tert-butyl-N-(1,3-thiazol-4-ylmethyl)pyrazol-4-amine.

Molecular Properties

Compound Name1-tert-butyl-N-(1,3-thiazol-4-ylmethyl)pyrazol-4-amine
PubChem CID75434824
Molecular FormulaC11H16N4S
Molecular Weight236.34 g/mol
Exact Mass236.11
IUPAC Name1-tert-butyl-N-(1,3-thiazol-4-ylmethyl)pyrazol-4-amine
SMILESCC(C)(C)n1cc(NCc2cscn2)cn1
InChIInChI=1S/C11H16N4S/c1-11(2,3)15-6-9(5-14-15)12-4-10-7-16-8-13-10/h5-8,12H,4H2,1-3H3
InChIKeyFBENDQWRMLLSEB-UHFFFAOYSA-N
XLogP2.71
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-Methyl-1-[(1-methylpyrazol-4-yl)methyl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea
CID 45803839
1-[2-(4-Methyl-1,3-thiazol-2-yl)ethyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea
CID 45828496
1-Methyl-1-[(1-methylpyrazol-4-yl)methyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 51084067
n-((2-Ethylthiazol-4-yl)methyl)-1-(1h-pyrazol-1-yl)propan-2-amine
CID 53522670
N-[(2-propyl-1,3-thiazol-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 53559006
1-(4-methylpyrazol-1-yl)-N-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 53596188
2-(4-methylpyrazol-1-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 53614923
N-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]-2-pyrazol-1-ylethanamine
CID 56781265
1-[1-(2-Methylpropyl)pyrazol-4-yl]-3-[2-(1,3-thiazol-2-yl)propan-2-yl]urea
CID 71870217
1-[1-[2-(Dimethylamino)ethyl]pyrazol-4-yl]-3-[2-(1,3-thiazol-2-yl)propan-2-yl]urea
CID 71981513
1-(2-methylpropyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazol-4-amine
CID 75393046
1-(2-methylpropyl)-N-(1,3-thiazol-4-ylmethyl)pyrazol-4-amine
CID 75434831

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-(1,3-thiazol-4-ylmethyl)pyrazol-4-amine?
The IUPAC name of 1-tert-butyl-N-(1,3-thiazol-4-ylmethyl)pyrazol-4-amine (CID 75434824) is 1-tert-butyl-N-(1,3-thiazol-4-ylmethyl)pyrazol-4-amine.
What is the SMILES notation for 1-tert-butyl-N-(1,3-thiazol-4-ylmethyl)pyrazol-4-amine?
The canonical SMILES for 1-tert-butyl-N-(1,3-thiazol-4-ylmethyl)pyrazol-4-amine is CC(C)(C)n1cc(NCc2cscn2)cn1.
What is the InChIKey of 1-tert-butyl-N-(1,3-thiazol-4-ylmethyl)pyrazol-4-amine?
The InChIKey is FBENDQWRMLLSEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4S/c1-11(2,3)15-6-9(5-14-15)12-4-10-7-16-8-13-10/h5-8,12H,4H2,1-3H3.
What are the key properties of 1-tert-butyl-N-(1,3-thiazol-4-ylmethyl)pyrazol-4-amine?
1-tert-butyl-N-(1,3-thiazol-4-ylmethyl)pyrazol-4-amine has a molecular weight of 236.34 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-(1,3-thiazol-4-ylmethyl)pyrazol-4-amine is sourced from PubChem (CID 75434824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).