[4-[(1-oxo-1,4-thiazinan-4-yl)methyl]-1,3-thiazol-2-yl]methanamine

C9H15N3OS2 — CID 62431138

IUPAC[4-[(1-oxo-1,4-thiazinan-4-yl)methyl]-1,3-thiazol-2-yl]methanamine
SMILESNCc1nc(CN2CCS(=O)CC2)cs1
InChIInChI=1S/C9H15N3OS2/c10-5-9-11-8(7-14-9)6-12-1-3-15(13)4-2-12/h7H,1-6,10H2
InChIKeyBNHJPSYVBBKMIX-UHFFFAOYSA-N
MW245.37 g/mol
LogP0.17
Rot. Bonds3

About [4-[(1-oxo-1,4-thiazinan-4-yl)methyl]-1,3-thiazol-2-yl]methanamine

[4-[(1-oxo-1,4-thiazinan-4-yl)methyl]-1,3-thiazol-2-yl]methanamine (PubChem CID 62431138) has the molecular formula C9H15N3OS2 and a molecular weight of 245.37 g/mol. Its IUPAC name is [4-[(1-oxo-1,4-thiazinan-4-yl)methyl]-1,3-thiazol-2-yl]methanamine.

Molecular Properties

Compound Name[4-[(1-oxo-1,4-thiazinan-4-yl)methyl]-1,3-thiazol-2-yl]methanamine
PubChem CID62431138
Molecular FormulaC9H15N3OS2
Molecular Weight245.37 g/mol
Exact Mass245.07
IUPAC Name[4-[(1-oxo-1,4-thiazinan-4-yl)methyl]-1,3-thiazol-2-yl]methanamine
SMILESNCc1nc(CN2CCS(=O)CC2)cs1
InChIInChI=1S/C9H15N3OS2/c10-5-9-11-8(7-14-9)6-12-1-3-15(13)4-2-12/h7H,1-6,10H2
InChIKeyBNHJPSYVBBKMIX-UHFFFAOYSA-N
XLogP0.17
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]methanamine
CID 62967066
[4-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]methanamine
CID 62433618
[4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methanamine
CID 55157940
[4-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]methanamine
CID 63008864
[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]methanamine
CID 62417334
[5-[(1-oxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]methanamine
CID 107556296
1-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propan-2-amine
CID 82044404
[2-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazol-4-yl]methanamine
CID 82515423
[4-[(3,3-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]methanamine
CID 62463277
[2-(aminomethyl)-1,3-thiazol-4-yl]-[4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 119857678
[4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-1,3-thiazol-2-yl]methanamine
CID 62434988
1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine
CID 43556699

Frequently Asked Questions

What is the IUPAC name of [4-[(1-oxo-1,4-thiazinan-4-yl)methyl]-1,3-thiazol-2-yl]methanamine?
The IUPAC name of [4-[(1-oxo-1,4-thiazinan-4-yl)methyl]-1,3-thiazol-2-yl]methanamine (CID 62431138) is [4-[(1-oxo-1,4-thiazinan-4-yl)methyl]-1,3-thiazol-2-yl]methanamine.
What is the SMILES notation for [4-[(1-oxo-1,4-thiazinan-4-yl)methyl]-1,3-thiazol-2-yl]methanamine?
The canonical SMILES for [4-[(1-oxo-1,4-thiazinan-4-yl)methyl]-1,3-thiazol-2-yl]methanamine is NCc1nc(CN2CCS(=O)CC2)cs1.
What is the InChIKey of [4-[(1-oxo-1,4-thiazinan-4-yl)methyl]-1,3-thiazol-2-yl]methanamine?
The InChIKey is BNHJPSYVBBKMIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS2/c10-5-9-11-8(7-14-9)6-12-1-3-15(13)4-2-12/h7H,1-6,10H2.
What are the key properties of [4-[(1-oxo-1,4-thiazinan-4-yl)methyl]-1,3-thiazol-2-yl]methanamine?
[4-[(1-oxo-1,4-thiazinan-4-yl)methyl]-1,3-thiazol-2-yl]methanamine has a molecular weight of 245.37 g/mol, XLogP of 0.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1-oxo-1,4-thiazinan-4-yl)methyl]-1,3-thiazol-2-yl]methanamine is sourced from PubChem (CID 62431138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).