5,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-4,6-dihydro-1,3-thiazin-2-amine

C11H18N4S — CID 115361492

IUPAC5,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-4,6-dihydro-1,3-thiazin-2-amine
SMILESCn1cc(CNC2=NCC(C)(C)CS2)cn1
InChIInChI=1S/C11H18N4S/c1-11(2)7-13-10(16-8-11)12-4-9-5-14-15(3)6-9/h5-6H,4,7-8H2,1-3H3,(H,12,13)
InChIKeyAHTIYZRUWMBEAW-UHFFFAOYSA-N
MW238.36 g/mol
LogP1.64
Rot. Bonds2

About 5,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-4,6-dihydro-1,3-thiazin-2-amine

5,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-4,6-dihydro-1,3-thiazin-2-amine (PubChem CID 115361492) has the molecular formula C11H18N4S and a molecular weight of 238.36 g/mol. Its IUPAC name is 5,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-4,6-dihydro-1,3-thiazin-2-amine.

Molecular Properties

Compound Name5,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-4,6-dihydro-1,3-thiazin-2-amine
PubChem CID115361492
Molecular FormulaC11H18N4S
Molecular Weight238.36 g/mol
Exact Mass238.13
IUPAC Name5,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-4,6-dihydro-1,3-thiazin-2-amine
SMILESCn1cc(CNC2=NCC(C)(C)CS2)cn1
InChIInChI=1S/C11H18N4S/c1-11(2)7-13-10(16-8-11)12-4-9-5-14-15(3)6-9/h5-6H,4,7-8H2,1-3H3,(H,12,13)
InChIKeyAHTIYZRUWMBEAW-UHFFFAOYSA-N
XLogP1.64
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5,5-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-4,6-dihydro-1,3-thiazin-2-amine
CID 115361810
5,5-dimethyl-N-[(4-propan-2-ylphenyl)methyl]-4,6-dihydro-1,3-thiazin-2-amine
CID 115361477
2-N-[(1-methylpyrazol-4-yl)methyl]pyrimidine-2,5-diamine
CID 61348476
2,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-1,2,4-triazol-3-amine
CID 86795176
5,5-dimethyl-N-[(1-methylcyclopentyl)methyl]-4,6-dihydro-1,3-thiazin-2-amine
CID 115361640
2-[(1-methylpyrazol-4-yl)methylamino]phenol
CID 19614710
6-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2,3,6-triamine
CID 79826024
1-methyl-N-[(1-methylpyrazol-4-yl)methyl]cyclopentan-1-amine
CID 61365369
2-methyl-1-N-[(1-methylpyrazol-4-yl)methyl]benzene-1,4-diamine
CID 61350782
5-bromo-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridin-2-amine
CID 115773970
1,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazol-3-amine
CID 19626325
2,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazol-3-amine
CID 122166456

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-4,6-dihydro-1,3-thiazin-2-amine?
The IUPAC name of 5,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-4,6-dihydro-1,3-thiazin-2-amine (CID 115361492) is 5,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-4,6-dihydro-1,3-thiazin-2-amine.
What is the SMILES notation for 5,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-4,6-dihydro-1,3-thiazin-2-amine?
The canonical SMILES for 5,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-4,6-dihydro-1,3-thiazin-2-amine is Cn1cc(CNC2=NCC(C)(C)CS2)cn1.
What is the InChIKey of 5,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-4,6-dihydro-1,3-thiazin-2-amine?
The InChIKey is AHTIYZRUWMBEAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4S/c1-11(2)7-13-10(16-8-11)12-4-9-5-14-15(3)6-9/h5-6H,4,7-8H2,1-3H3,(H,12,13).
What are the key properties of 5,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-4,6-dihydro-1,3-thiazin-2-amine?
5,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-4,6-dihydro-1,3-thiazin-2-amine has a molecular weight of 238.36 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-4,6-dihydro-1,3-thiazin-2-amine is sourced from PubChem (CID 115361492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).