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

C11H18N4S — CID 106049386

IUPACN-[(1,5-dimethylpyrazol-4-yl)methyl]-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCc1c(CNC2=NCC(C)CS2)cnn1C
InChIInChI=1S/C11H18N4S/c1-8-4-12-11(16-7-8)13-5-10-6-14-15(3)9(10)2/h6,8H,4-5,7H2,1-3H3,(H,12,13)
InChIKeyOJDFJMJLZGMCQN-UHFFFAOYSA-N
MW238.36 g/mol
LogP1.56
Rot. Bonds2

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

N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 106049386) has the molecular formula C11H18N4S and a molecular weight of 238.36 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID106049386
Molecular FormulaC11H18N4S
Molecular Weight238.36 g/mol
Exact Mass238.13
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCc1c(CNC2=NCC(C)CS2)cnn1C
InChIInChI=1S/C11H18N4S/c1-8-4-12-11(16-7-8)13-5-10-6-14-15(3)9(10)2/h6,8H,4-5,7H2,1-3H3,(H,12,13)
InChIKeyOJDFJMJLZGMCQN-UHFFFAOYSA-N
XLogP1.56
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 ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 106049386) is N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine is Cc1c(CNC2=NCC(C)CS2)cnn1C.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is OJDFJMJLZGMCQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4S/c1-8-4-12-11(16-7-8)13-5-10-6-14-15(3)9(10)2/h6,8H,4-5,7H2,1-3H3,(H,12,13).
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 238.36 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 106049386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).