[4-(methoxymethyl)-2-(1-oxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]methanamine

C10H17N3O2S2 — CID 107510048

IUPAC[4-(methoxymethyl)-2-(1-oxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]methanamine
SMILESCOCc1nc(N2CCS(=O)CC2)sc1CN
InChIInChI=1S/C10H17N3O2S2/c1-15-7-8-9(6-11)16-10(12-8)13-2-4-17(14)5-3-13/h2-7,11H2,1H3
InChIKeyLPNVKCVBKVMUFR-UHFFFAOYSA-N
MW275.40 g/mol
LogP0.32
Rot. Bonds4

About [4-(methoxymethyl)-2-(1-oxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]methanamine

[4-(methoxymethyl)-2-(1-oxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]methanamine (PubChem CID 107510048) has the molecular formula C10H17N3O2S2 and a molecular weight of 275.40 g/mol. Its IUPAC name is [4-(methoxymethyl)-2-(1-oxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[4-(methoxymethyl)-2-(1-oxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]methanamine
PubChem CID107510048
Molecular FormulaC10H17N3O2S2
Molecular Weight275.40 g/mol
Exact Mass275.08
IUPAC Name[4-(methoxymethyl)-2-(1-oxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]methanamine
SMILESCOCc1nc(N2CCS(=O)CC2)sc1CN
InChIInChI=1S/C10H17N3O2S2/c1-15-7-8-9(6-11)16-10(12-8)13-2-4-17(14)5-3-13/h2-7,11H2,1H3
InChIKeyLPNVKCVBKVMUFR-UHFFFAOYSA-N
XLogP0.32
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(3,4-dimethylpyrrolidin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 107510564
[4-(methoxymethyl)-2-(4-methylazepan-1-yl)-1,3-thiazol-5-yl]methanamine
CID 107510397
[2-[4-(cyclopropylmethyl)piperazin-1-yl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 107510269
[4-(methoxymethyl)-2-(3,3,4-trimethylpiperazin-1-yl)-1,3-thiazol-5-yl]methanamine
CID 107510392
[2-(2,2-dimethylpyrrolidin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 107510369
[2-(2-ethylazepan-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 107510725
2-[4-(methoxymethyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]acetic acid
CID 82441915
2-[4-(methoxymethyl)-2-morpholin-4-yl-1,3-thiazol-5-yl]acetic acid
CID 82441955
[2-(4-ethylpiperazin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanethiol
CID 82441933
[2-(1-oxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]methanamine
CID 62751202
N-[[4-ethyl-2-(1-oxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 62767706
3-[4-(methoxymethyl)-2-morpholin-4-yl-1,3-thiazol-5-yl]propanoic acid
CID 82441961

Frequently Asked Questions

What is the IUPAC name of [4-(methoxymethyl)-2-(1-oxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [4-(methoxymethyl)-2-(1-oxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]methanamine (CID 107510048) is [4-(methoxymethyl)-2-(1-oxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [4-(methoxymethyl)-2-(1-oxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [4-(methoxymethyl)-2-(1-oxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]methanamine is COCc1nc(N2CCS(=O)CC2)sc1CN.
What is the InChIKey of [4-(methoxymethyl)-2-(1-oxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is LPNVKCVBKVMUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S2/c1-15-7-8-9(6-11)16-10(12-8)13-2-4-17(14)5-3-13/h2-7,11H2,1H3.
What are the key properties of [4-(methoxymethyl)-2-(1-oxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]methanamine?
[4-(methoxymethyl)-2-(1-oxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 275.40 g/mol, XLogP of 0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methoxymethyl)-2-(1-oxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 107510048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).