4-[[(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)-methylamino]methyl]oxan-4-ol

C11H19N3O2S2 — CID 103365839

IUPAC4-[[(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)-methylamino]methyl]oxan-4-ol
SMILESCSc1c(N)nsc1N(C)CC1(O)CCOCC1
InChIInChI=1S/C11H19N3O2S2/c1-14(7-11(15)3-5-16-6-4-11)10-8(17-2)9(12)13-18-10/h15H,3-7H2,1-2H3,(H2,12,13)
InChIKeyQBUPAQVESOLDAO-UHFFFAOYSA-N
MW289.43 g/mol
LogP1.42
Rot. Bonds4

About 4-[[(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)-methylamino]methyl]oxan-4-ol

4-[[(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)-methylamino]methyl]oxan-4-ol (PubChem CID 103365839) has the molecular formula C11H19N3O2S2 and a molecular weight of 289.43 g/mol. Its IUPAC name is 4-[[(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)-methylamino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)-methylamino]methyl]oxan-4-ol
PubChem CID103365839
Molecular FormulaC11H19N3O2S2
Molecular Weight289.43 g/mol
Exact Mass289.09
IUPAC Name4-[[(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)-methylamino]methyl]oxan-4-ol
SMILESCSc1c(N)nsc1N(C)CC1(O)CCOCC1
InChIInChI=1S/C11H19N3O2S2/c1-14(7-11(15)3-5-16-6-4-11)10-8(17-2)9(12)13-18-10/h15H,3-7H2,1-2H3,(H2,12,13)
InChIKeyQBUPAQVESOLDAO-UHFFFAOYSA-N
XLogP1.42
TPSA71.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[[(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)-methylamino]methyl]oxan-4-ol with MolForge

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Related Compounds

2-[(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)-methylamino]propan-1-ol
CID 103365140
4-[[(6-amino-3,5-dichloro-2-pyridinyl)-methylamino]methyl]oxan-4-ol
CID 102760185
4-[(2-amino-3-fluoro-N-methylanilino)methyl]oxan-4-ol
CID 114947799
4-[[(5-amino-1,3-thiazol-2-yl)-methylamino]methyl]oxan-4-ol
CID 102769156
4-[[(6-amino-2,5-dimethylpyrimidin-4-yl)-methylamino]methyl]oxan-4-ol
CID 114954173
4-[[ethyl(methyl)amino]methyl]oxan-4-ol
CID 115749552
4-[[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)-methylamino]methyl]oxan-4-ol
CID 114954261
4-[[(5-amino-4-methyl-2-pyridinyl)-methylamino]methyl]oxan-4-ol
CID 114947689
4-[(4,6-diamino-3-chloro-2-fluoro-N-methylanilino)methyl]oxan-4-ol
CID 103553535
4-[[(4-amino-6-bromopyrimidin-2-yl)-methylamino]methyl]oxan-4-ol
CID 114953948
4-[[(4-amino-1-ethyl-3-methylpyrazol-5-yl)-methylamino]methyl]oxan-4-ol
CID 114947756
4-[[4-(aminomethyl)-2,6-difluoro-N-methylanilino]methyl]oxan-4-ol
CID 114947947

Frequently Asked Questions

What is the IUPAC name of 4-[[(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)-methylamino]methyl]oxan-4-ol?
The IUPAC name of 4-[[(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)-methylamino]methyl]oxan-4-ol (CID 103365839) is 4-[[(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)-methylamino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)-methylamino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)-methylamino]methyl]oxan-4-ol is CSc1c(N)nsc1N(C)CC1(O)CCOCC1.
What is the InChIKey of 4-[[(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)-methylamino]methyl]oxan-4-ol?
The InChIKey is QBUPAQVESOLDAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S2/c1-14(7-11(15)3-5-16-6-4-11)10-8(17-2)9(12)13-18-10/h15H,3-7H2,1-2H3,(H2,12,13).
What are the key properties of 4-[[(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)-methylamino]methyl]oxan-4-ol?
4-[[(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)-methylamino]methyl]oxan-4-ol has a molecular weight of 289.43 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)-methylamino]methyl]oxan-4-ol is sourced from PubChem (CID 103365839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).