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

C11H18N4S — CID 102806357

IUPACN-(1,3-dimethylpyrazol-4-yl)-4,5-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCc1nn(C)cc1NC1=NC(C)C(C)CS1
InChIInChI=1S/C11H18N4S/c1-7-6-16-11(12-8(7)2)13-10-5-15(4)14-9(10)3/h5,7-8H,6H2,1-4H3,(H,12,13)
InChIKeyOIMUCWJAJLLXPO-UHFFFAOYSA-N
MW238.36 g/mol
LogP2.27
Rot. Bonds1

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

N-(1,3-dimethylpyrazol-4-yl)-4,5-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 102806357) has the molecular formula C11H18N4S and a molecular weight of 238.36 g/mol. Its IUPAC name is N-(1,3-dimethylpyrazol-4-yl)-4,5-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-(1,3-dimethylpyrazol-4-yl)-4,5-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID102806357
Molecular FormulaC11H18N4S
Molecular Weight238.36 g/mol
Exact Mass238.13
IUPAC NameN-(1,3-dimethylpyrazol-4-yl)-4,5-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCc1nn(C)cc1NC1=NC(C)C(C)CS1
InChIInChI=1S/C11H18N4S/c1-7-6-16-11(12-8(7)2)13-10-5-15(4)14-9(10)3/h5,7-8H,6H2,1-4H3,(H,12,13)
InChIKeyOIMUCWJAJLLXPO-UHFFFAOYSA-N
XLogP2.27
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethylpyrazol-4-yl)-4,5-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of N-(1,3-dimethylpyrazol-4-yl)-4,5-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 102806357) is N-(1,3-dimethylpyrazol-4-yl)-4,5-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for N-(1,3-dimethylpyrazol-4-yl)-4,5-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for N-(1,3-dimethylpyrazol-4-yl)-4,5-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine is Cc1nn(C)cc1NC1=NC(C)C(C)CS1.
What is the InChIKey of N-(1,3-dimethylpyrazol-4-yl)-4,5-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is OIMUCWJAJLLXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4S/c1-7-6-16-11(12-8(7)2)13-10-5-15(4)14-9(10)3/h5,7-8H,6H2,1-4H3,(H,12,13).
What are the key properties of N-(1,3-dimethylpyrazol-4-yl)-4,5-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
N-(1,3-dimethylpyrazol-4-yl)-4,5-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 238.36 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethylpyrazol-4-yl)-4,5-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 102806357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).