4-tert-butyl-N-(1-ethylpyrazol-4-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine

C13H22N4S — CID 114177162

IUPAC4-tert-butyl-N-(1-ethylpyrazol-4-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCCn1cc(NC2=NC(C(C)(C)C)CCS2)cn1
InChIInChI=1S/C13H22N4S/c1-5-17-9-10(8-14-17)15-12-16-11(6-7-18-12)13(2,3)4/h8-9,11H,5-7H2,1-4H3,(H,15,16)
InChIKeyBPIZGGBVDAOJPO-UHFFFAOYSA-N
MW266.41 g/mol
LogP3.22
Rot. Bonds2

About 4-tert-butyl-N-(1-ethylpyrazol-4-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine

4-tert-butyl-N-(1-ethylpyrazol-4-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 114177162) has the molecular formula C13H22N4S and a molecular weight of 266.41 g/mol. Its IUPAC name is 4-tert-butyl-N-(1-ethylpyrazol-4-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound Name4-tert-butyl-N-(1-ethylpyrazol-4-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID114177162
Molecular FormulaC13H22N4S
Molecular Weight266.41 g/mol
Exact Mass266.16
IUPAC Name4-tert-butyl-N-(1-ethylpyrazol-4-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCCn1cc(NC2=NC(C(C)(C)C)CCS2)cn1
InChIInChI=1S/C13H22N4S/c1-5-17-9-10(8-14-17)15-12-16-11(6-7-18-12)13(2,3)4/h8-9,11H,5-7H2,1-4H3,(H,15,16)
InChIKeyBPIZGGBVDAOJPO-UHFFFAOYSA-N
XLogP3.22
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-tert-butyl-N-(2,6-dibromophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106352323
N-cycloheptyl-1-ethylpyrazol-4-amine
CID 43543541
N,1-diethylpyrazol-4-amine
CID 43543394
N-(4-tert-butylcycloheptyl)-1-ethylpyrazol-4-amine
CID 65089861
N-(1-ethylpyrazol-4-yl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine
CID 43543944
4-[(1-ethylpyrazol-4-yl)amino]cyclohexan-1-ol
CID 106593658
1-ethyl-N-[(1S,2R)-2-methylcyclohexyl]pyrazol-4-amine
CID 93112285
4-tert-butyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106351496
N-(3,3-dimethylbutan-2-yl)-1-ethylpyrazol-4-amine
CID 115922661
4-tert-butyl-N-(4,4,4-trifluorobutan-2-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106352463
N-(2-adamantyl)-1-ethylpyrazol-4-amine
CID 43621713
2-amino-2-ethyl-N-(1-ethylpyrazol-4-yl)butanamide
CID 79810025

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(1-ethylpyrazol-4-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of 4-tert-butyl-N-(1-ethylpyrazol-4-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 114177162) is 4-tert-butyl-N-(1-ethylpyrazol-4-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for 4-tert-butyl-N-(1-ethylpyrazol-4-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for 4-tert-butyl-N-(1-ethylpyrazol-4-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine is CCn1cc(NC2=NC(C(C)(C)C)CCS2)cn1.
What is the InChIKey of 4-tert-butyl-N-(1-ethylpyrazol-4-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is BPIZGGBVDAOJPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4S/c1-5-17-9-10(8-14-17)15-12-16-11(6-7-18-12)13(2,3)4/h8-9,11H,5-7H2,1-4H3,(H,15,16).
What are the key properties of 4-tert-butyl-N-(1-ethylpyrazol-4-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
4-tert-butyl-N-(1-ethylpyrazol-4-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 266.41 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(1-ethylpyrazol-4-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 114177162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).