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

C12H23N3S — CID 114516295

IUPACN-[2-(1-methylpiperidin-4-yl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCN1CCC(CCNC2=NCCCS2)CC1
InChIInChI=1S/C12H23N3S/c1-15-8-4-11(5-9-15)3-7-14-12-13-6-2-10-16-12/h11H,2-10H2,1H3,(H,13,14)
InChIKeyQXFGTVCWZVDABI-UHFFFAOYSA-N
MW241.40 g/mol
LogP1.80
Rot. Bonds3

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

N-[2-(1-methylpiperidin-4-yl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 114516295) has the molecular formula C12H23N3S and a molecular weight of 241.40 g/mol. Its IUPAC name is N-[2-(1-methylpiperidin-4-yl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-[2-(1-methylpiperidin-4-yl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID114516295
Molecular FormulaC12H23N3S
Molecular Weight241.40 g/mol
Exact Mass241.16
IUPAC NameN-[2-(1-methylpiperidin-4-yl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCN1CCC(CCNC2=NCCCS2)CC1
InChIInChI=1S/C12H23N3S/c1-15-8-4-11(5-9-15)3-7-14-12-13-6-2-10-16-12/h11H,2-10H2,1H3,(H,13,14)
InChIKeyQXFGTVCWZVDABI-UHFFFAOYSA-N
XLogP1.80
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-methylpiperidin-4-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 43373637
N-(1,3-dimethylpiperidin-4-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 114505060
N-[(1-methylpiperidin-4-yl)methyl]-2,3,4,5-tetrahydropyridin-6-amine
CID 79507617
3-chloro-N-[2-(1-methylpiperidin-4-yl)ethyl]pyrazin-2-amine
CID 114516461
6-chloro-2-N-[2-(1-methylpiperidin-4-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 114516972
4-chloro-N-[2-(1-methylpiperidin-4-yl)ethyl]-1,3-thiazol-2-amine
CID 114516015
N-(2-cyclohexylethyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 65036243
N-[2-(1-methylpiperidin-4-yl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107305198
1-cyclopropyl-4-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]imidazol-2-amine
CID 106581939
1-ethyl-4-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]imidazol-2-amine
CID 106581961
N-(4-ethylcyclohexyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 61469915
N-(2-cyclopropylethyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 115361732

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylpiperidin-4-yl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of N-[2-(1-methylpiperidin-4-yl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 114516295) is N-[2-(1-methylpiperidin-4-yl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for N-[2-(1-methylpiperidin-4-yl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for N-[2-(1-methylpiperidin-4-yl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine is CN1CCC(CCNC2=NCCCS2)CC1.
What is the InChIKey of N-[2-(1-methylpiperidin-4-yl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is QXFGTVCWZVDABI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3S/c1-15-8-4-11(5-9-15)3-7-14-12-13-6-2-10-16-12/h11H,2-10H2,1H3,(H,13,14).
What are the key properties of N-[2-(1-methylpiperidin-4-yl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
N-[2-(1-methylpiperidin-4-yl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 241.40 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylpiperidin-4-yl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 114516295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).