[2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1,3-thiazol-4-yl]methanol

C9H14N2O3S2 — CID 165448285

IUPAC[2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1,3-thiazol-4-yl]methanol
SMILESO=S1(=O)CCN(Cc2nc(CO)cs2)CC1
InChIInChI=1S/C9H14N2O3S2/c12-6-8-7-15-9(10-8)5-11-1-3-16(13,14)4-2-11/h7,12H,1-6H2
InChIKeyCKCSFNUVGCLLGY-UHFFFAOYSA-N
MW262.36 g/mol
LogP-0.13
Rot. Bonds3

About [2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1,3-thiazol-4-yl]methanol

[2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1,3-thiazol-4-yl]methanol (PubChem CID 165448285) has the molecular formula C9H14N2O3S2 and a molecular weight of 262.36 g/mol. Its IUPAC name is [2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1,3-thiazol-4-yl]methanol.

Molecular Properties

Compound Name[2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1,3-thiazol-4-yl]methanol
PubChem CID165448285
Molecular FormulaC9H14N2O3S2
Molecular Weight262.36 g/mol
Exact Mass262.04
IUPAC Name[2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1,3-thiazol-4-yl]methanol
SMILESO=S1(=O)CCN(Cc2nc(CO)cs2)CC1
InChIInChI=1S/C9H14N2O3S2/c12-6-8-7-15-9(10-8)5-11-1-3-16(13,14)4-2-11/h7,12H,1-6H2
InChIKeyCKCSFNUVGCLLGY-UHFFFAOYSA-N
XLogP-0.13
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(2-propyl-1,3-thiazol-4-yl)methyl]-1,4-thiazinane 1,1-dioxide
CID 71879328
[2-[(1,1-dioxothiolan-3-yl)methyl]-1,3-thiazol-4-yl]methanol
CID 115087903
4-(bromomethyl)-2-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazole
CID 82515456
[2-[(1-methylpyrrolidin-3-yl)methyl]-1,3-thiazol-4-yl]methanol
CID 115087908
1-piperidin-1-yl-2-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]ethanone
CID 110386560
[2-[(1-methylpiperidin-3-yl)methyl]-1,3-thiazol-4-yl]methanol
CID 115088901
[2-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazol-4-yl]methanamine
CID 82515423
3-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]propanoic acid
CID 82120518
N-cyclopropyl-2-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]acetamide
CID 110386935
2-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-1,2-thiazolidine 1,1-dioxide
CID 43620084
1-(4-methylpiperazin-1-yl)-2-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]ethanone
CID 110386953
4-(chloromethyl)-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole
CID 62994658

Frequently Asked Questions

What is the IUPAC name of [2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1,3-thiazol-4-yl]methanol?
The IUPAC name of [2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1,3-thiazol-4-yl]methanol (CID 165448285) is [2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1,3-thiazol-4-yl]methanol.
What is the SMILES notation for [2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1,3-thiazol-4-yl]methanol?
The canonical SMILES for [2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1,3-thiazol-4-yl]methanol is O=S1(=O)CCN(Cc2nc(CO)cs2)CC1.
What is the InChIKey of [2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1,3-thiazol-4-yl]methanol?
The InChIKey is CKCSFNUVGCLLGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3S2/c12-6-8-7-15-9(10-8)5-11-1-3-16(13,14)4-2-11/h7,12H,1-6H2.
What are the key properties of [2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1,3-thiazol-4-yl]methanol?
[2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1,3-thiazol-4-yl]methanol has a molecular weight of 262.36 g/mol, XLogP of -0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1,3-thiazol-4-yl]methanol is sourced from PubChem (CID 165448285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).