4-tert-butyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-1,3-thiazinan-2-imine

C14H24N4S — CID 136848574

IUPAC4-tert-butyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-1,3-thiazinan-2-imine
SMILESCc1cnn(CC/N=C2/NC(C(C)(C)C)CCS2)c1
InChIInChI=1S/C14H24N4S/c1-11-9-16-18(10-11)7-6-15-13-17-12(5-8-19-13)14(2,3)4/h9-10,12H,5-8H2,1-4H3,(H,15,17)
InChIKeyZMDPVEUAYFNRIH-UHFFFAOYSA-N
MW280.44 g/mol
LogP2.69
Rot. Bonds3

About 4-tert-butyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-1,3-thiazinan-2-imine

4-tert-butyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-1,3-thiazinan-2-imine (PubChem CID 136848574) has the molecular formula C14H24N4S and a molecular weight of 280.44 g/mol. Its IUPAC name is 4-tert-butyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-1,3-thiazinan-2-imine.

Molecular Properties

Compound Name4-tert-butyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-1,3-thiazinan-2-imine
PubChem CID136848574
Molecular FormulaC14H24N4S
Molecular Weight280.44 g/mol
Exact Mass280.17
IUPAC Name4-tert-butyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-1,3-thiazinan-2-imine
SMILESCc1cnn(CC/N=C2/NC(C(C)(C)C)CCS2)c1
InChIInChI=1S/C14H24N4S/c1-11-9-16-18(10-11)7-6-15-13-17-12(5-8-19-13)14(2,3)4/h9-10,12H,5-8H2,1-4H3,(H,15,17)
InChIKeyZMDPVEUAYFNRIH-UHFFFAOYSA-N
XLogP2.69
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-tert-butyl-N-(3-morpholin-4-ylpropyl)-1,3-thiazinan-2-imine
CID 136848061
N-[2-(4-methylpyrazol-1-yl)ethyl]-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136730450
4-propan-2-yl-N-(2-pyrazol-1-ylethyl)-1,3-thiazinan-2-imine
CID 136848122
4-tert-butyl-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazinan-2-imine
CID 136848612
1-cyclopentyl-2-[2-(4-methylpyrazol-1-yl)ethyl]guanidine
CID 103677225
1-[2-(3-chloropyrrolidin-1-yl)ethyl]-4-methylpyrazole
CID 130516358
2,2-dimethyl-N-[1-[2-(4-methylpyrazol-1-yl)ethyl]piperidin-4-yl]propanamide
CID 163350952
4-methyl-1-[1-[2-(4-methylpyrazol-1-yl)ethyl]pyrrolidin-3-yl]pyrazole
CID 126947449
2,2-dimethyl-4-(4-methylpyrazol-1-yl)butan-1-amine
CID 65246794
3-methyl-N'-[2-(4-methylpyrazol-1-yl)ethyl]piperidine-1-carboximidamide
CID 111806202
3-[2-(4-methylpyrazol-1-yl)ethyl]imidazolidine-2,4-dione
CID 103857952
1-methyl-4-[(4-methylpyrazol-1-yl)methyl]piperidine
CID 70661040

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-1,3-thiazinan-2-imine?
The IUPAC name of 4-tert-butyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-1,3-thiazinan-2-imine (CID 136848574) is 4-tert-butyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-1,3-thiazinan-2-imine.
What is the SMILES notation for 4-tert-butyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-1,3-thiazinan-2-imine?
The canonical SMILES for 4-tert-butyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-1,3-thiazinan-2-imine is Cc1cnn(CC/N=C2/NC(C(C)(C)C)CCS2)c1.
What is the InChIKey of 4-tert-butyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-1,3-thiazinan-2-imine?
The InChIKey is ZMDPVEUAYFNRIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4S/c1-11-9-16-18(10-11)7-6-15-13-17-12(5-8-19-13)14(2,3)4/h9-10,12H,5-8H2,1-4H3,(H,15,17).
What are the key properties of 4-tert-butyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-1,3-thiazinan-2-imine?
4-tert-butyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-1,3-thiazinan-2-imine has a molecular weight of 280.44 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-1,3-thiazinan-2-imine is sourced from PubChem (CID 136848574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).