N-[[4-ethyl-2-(1-oxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine

C14H25N3OS2 — CID 62767706

IUPACN-[[4-ethyl-2-(1-oxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
SMILESCCc1nc(N2CCS(=O)CC2)sc1CNCC(C)C
InChIInChI=1S/C14H25N3OS2/c1-4-12-13(10-15-9-11(2)3)19-14(16-12)17-5-7-20(18)8-6-17/h11,15H,4-10H2,1-3H3
InChIKeyBGBBNLYEFBNHJS-UHFFFAOYSA-N
MW315.51 g/mol
LogP2.02
Rot. Bonds6

About N-[[4-ethyl-2-(1-oxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine

N-[[4-ethyl-2-(1-oxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine (PubChem CID 62767706) has the molecular formula C14H25N3OS2 and a molecular weight of 315.51 g/mol. Its IUPAC name is N-[[4-ethyl-2-(1-oxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[4-ethyl-2-(1-oxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
PubChem CID62767706
Molecular FormulaC14H25N3OS2
Molecular Weight315.51 g/mol
Exact Mass315.14
IUPAC NameN-[[4-ethyl-2-(1-oxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
SMILESCCc1nc(N2CCS(=O)CC2)sc1CNCC(C)C
InChIInChI=1S/C14H25N3OS2/c1-4-12-13(10-15-9-11(2)3)19-14(16-12)17-5-7-20(18)8-6-17/h11,15H,4-10H2,1-3H3
InChIKeyBGBBNLYEFBNHJS-UHFFFAOYSA-N
XLogP2.02
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.51
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[4-ethyl-2-(1-oxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine with MolForge

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Related Compounds

N-[[2-(3,4-dimethylpiperazin-1-yl)-4-ethyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 63620869
N-[[2-(2,2-dimethylpyrrolidin-1-yl)-4-ethyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 63219194
N-[[4-cyclopropyl-2-(1-oxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 63916198
N-[[4-ethyl-2-(ethylsulfonylmethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 82429387
2-methyl-N-[(4-methyl-2-thiomorpholin-4-yl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 62766049
N-[(4-ethyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]propan-2-amine
CID 62765156
2-methyl-N-[[4-methyl-2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 62766220
N-[[2-(3-ethylpyrrolidin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 107510717
2-methyl-N-[[2-(4-methylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 79381275
N-[[2-(azepan-1-yl)-4-ethyl-1,3-thiazol-5-yl]methyl]-2-methoxyethanamine
CID 62765034
1-(4-ethyl-2-morpholin-4-yl-1,3-thiazol-5-yl)-N-methylmethanamine
CID 62764992
[4-(methoxymethyl)-2-(1-oxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]methanamine
CID 107510048

Frequently Asked Questions

What is the IUPAC name of N-[[4-ethyl-2-(1-oxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[4-ethyl-2-(1-oxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine (CID 62767706) is N-[[4-ethyl-2-(1-oxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[4-ethyl-2-(1-oxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[4-ethyl-2-(1-oxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine is CCc1nc(N2CCS(=O)CC2)sc1CNCC(C)C.
What is the InChIKey of N-[[4-ethyl-2-(1-oxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is BGBBNLYEFBNHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3OS2/c1-4-12-13(10-15-9-11(2)3)19-14(16-12)17-5-7-20(18)8-6-17/h11,15H,4-10H2,1-3H3.
What are the key properties of N-[[4-ethyl-2-(1-oxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine?
N-[[4-ethyl-2-(1-oxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 315.51 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-ethyl-2-(1-oxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 62767706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).