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

C12H24N4S — CID 106352080

IUPACN-(4-methylpiperazin-1-yl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC(C)C1CCSC(NN2CCN(C)CC2)=N1
InChIInChI=1S/C12H24N4S/c1-10(2)11-4-9-17-12(13-11)14-16-7-5-15(3)6-8-16/h10-11H,4-9H2,1-3H3,(H,13,14)
InChIKeyJKQUNMJBGJAFSX-UHFFFAOYSA-N
MW256.42 g/mol
LogP1.26
Rot. Bonds2

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

N-(4-methylpiperazin-1-yl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 106352080) has the molecular formula C12H24N4S and a molecular weight of 256.42 g/mol. Its IUPAC name is N-(4-methylpiperazin-1-yl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-(4-methylpiperazin-1-yl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID106352080
Molecular FormulaC12H24N4S
Molecular Weight256.42 g/mol
Exact Mass256.17
IUPAC NameN-(4-methylpiperazin-1-yl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC(C)C1CCSC(NN2CCN(C)CC2)=N1
InChIInChI=1S/C12H24N4S/c1-10(2)11-4-9-17-12(13-11)14-16-7-5-15(3)6-8-16/h10-11H,4-9H2,1-3H3,(H,13,14)
InChIKeyJKQUNMJBGJAFSX-UHFFFAOYSA-N
XLogP1.26
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.42
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylpiperazin-1-yl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of N-(4-methylpiperazin-1-yl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 106352080) is N-(4-methylpiperazin-1-yl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for N-(4-methylpiperazin-1-yl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for N-(4-methylpiperazin-1-yl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine is CC(C)C1CCSC(NN2CCN(C)CC2)=N1.
What is the InChIKey of N-(4-methylpiperazin-1-yl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is JKQUNMJBGJAFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4S/c1-10(2)11-4-9-17-12(13-11)14-16-7-5-15(3)6-8-16/h10-11H,4-9H2,1-3H3,(H,13,14).
What are the key properties of N-(4-methylpiperazin-1-yl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine?
N-(4-methylpiperazin-1-yl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 256.42 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpiperazin-1-yl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 106352080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).