5-methyl-N-(1-pyridin-4-ylethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine

C12H17N3S — CID 65035697

IUPAC5-methyl-N-(1-pyridin-4-ylethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC1CN=C(NC(C)c2ccncc2)SC1
InChIInChI=1S/C12H17N3S/c1-9-7-14-12(16-8-9)15-10(2)11-3-5-13-6-4-11/h3-6,9-10H,7-8H2,1-2H3,(H,14,15)
InChIKeyFIALYSHICNQXES-UHFFFAOYSA-N
MW235.36 g/mol
LogP2.47
Rot. Bonds2

About 5-methyl-N-(1-pyridin-4-ylethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine

5-methyl-N-(1-pyridin-4-ylethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 65035697) has the molecular formula C12H17N3S and a molecular weight of 235.36 g/mol. Its IUPAC name is 5-methyl-N-(1-pyridin-4-ylethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound Name5-methyl-N-(1-pyridin-4-ylethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID65035697
Molecular FormulaC12H17N3S
Molecular Weight235.36 g/mol
Exact Mass235.11
IUPAC Name5-methyl-N-(1-pyridin-4-ylethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC1CN=C(NC(C)c2ccncc2)SC1
InChIInChI=1S/C12H17N3S/c1-9-7-14-12(16-8-9)15-10(2)11-3-5-13-6-4-11/h3-6,9-10H,7-8H2,1-2H3,(H,14,15)
InChIKeyFIALYSHICNQXES-UHFFFAOYSA-N
XLogP2.47
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.36
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-phenyl-N-(1-pyridin-4-ylethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 43524207
N-(1-cyclopropylethyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 65035699
N-tert-butyl-2-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]propanamide
CID 113407961
3-methyl-N-[(1S)-1-pyridin-4-ylethyl]cyclobutan-1-amine
CID 103562196
N-[(1S)-1-pyridin-4-ylethyl]-2,3,4,5-tetrahydropyridin-6-amine
CID 81406115
2-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]-N-(2-methylpropyl)propanamide
CID 113407964
N-(2-methoxypropyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 102699426
4-N,4-N-dimethyl-1-N-(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)benzene-1,4-diamine
CID 65036001
4-chloro-N-(1-pyridin-4-ylethyl)-1,2,5-thiadiazol-3-amine
CID 43808288
4-benzyl-N-(1-phenylethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 63261477
N-methyl-1-pyridin-4-ylethanamine;dihydrochloride
CID 42921481
N-[(1R)-1-pyridin-4-ylethyl]cycloheptanamine
CID 28646598

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(1-pyridin-4-ylethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of 5-methyl-N-(1-pyridin-4-ylethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 65035697) is 5-methyl-N-(1-pyridin-4-ylethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for 5-methyl-N-(1-pyridin-4-ylethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for 5-methyl-N-(1-pyridin-4-ylethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine is CC1CN=C(NC(C)c2ccncc2)SC1.
What is the InChIKey of 5-methyl-N-(1-pyridin-4-ylethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is FIALYSHICNQXES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S/c1-9-7-14-12(16-8-9)15-10(2)11-3-5-13-6-4-11/h3-6,9-10H,7-8H2,1-2H3,(H,14,15).
What are the key properties of 5-methyl-N-(1-pyridin-4-ylethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
5-methyl-N-(1-pyridin-4-ylethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 235.36 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(1-pyridin-4-ylethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 65035697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).