[4-[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]-6-methylmorpholin-2-yl]methanol

C13H18N4O2S2 — CID 103384839

IUPAC[4-[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]-6-methylmorpholin-2-yl]methanol
SMILESCc1nc(-c2c(N)nsc2N2CC(C)OC(CO)C2)cs1
InChIInChI=1S/C13H18N4O2S2/c1-7-3-17(4-9(5-18)19-7)13-11(12(14)16-21-13)10-6-20-8(2)15-10/h6-7,9,18H,3-5H2,1-2H3,(H2,14,16)
InChIKeyXAYJHTNKGPDNAM-UHFFFAOYSA-N
MW326.45 g/mol
LogP1.74
Rot. Bonds3

About [4-[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]-6-methylmorpholin-2-yl]methanol

[4-[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]-6-methylmorpholin-2-yl]methanol (PubChem CID 103384839) has the molecular formula C13H18N4O2S2 and a molecular weight of 326.45 g/mol. Its IUPAC name is [4-[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]-6-methylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]-6-methylmorpholin-2-yl]methanol
PubChem CID103384839
Molecular FormulaC13H18N4O2S2
Molecular Weight326.45 g/mol
Exact Mass326.09
IUPAC Name[4-[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]-6-methylmorpholin-2-yl]methanol
SMILESCc1nc(-c2c(N)nsc2N2CC(C)OC(CO)C2)cs1
InChIInChI=1S/C13H18N4O2S2/c1-7-3-17(4-9(5-18)19-7)13-11(12(14)16-21-13)10-6-20-8(2)15-10/h6-7,9,18H,3-5H2,1-2H3,(H2,14,16)
InChIKeyXAYJHTNKGPDNAM-UHFFFAOYSA-N
XLogP1.74
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.45
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-(2-methyl-1,3-thiazol-4-yl)-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,2-thiazol-3-amine
CID 103378152
[1-[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]pyrrolidin-3-yl]methanol
CID 103383882
5-(2-ethylthiomorpholin-4-yl)-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-3-amine
CID 103384426
5-(3-methoxypiperidin-1-yl)-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-3-amine
CID 103384750
4-[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]-1-methyl-1,4-diazepan-2-one
CID 103384690
4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine
CID 103382767
[4-(3-aminopyrazin-2-yl)-6-methylmorpholin-2-yl]methanol
CID 102976001
[4-(2-amino-3-pyridinyl)-6-methylmorpholin-2-yl]methanol
CID 102932034
[4-(6-amino-2-propylpyrimidin-4-yl)-6-methylmorpholin-2-yl]methanol
CID 102939143
[4-(5-amino-6-ethoxy-2-pyridinyl)-6-methylmorpholin-2-yl]methanol
CID 102931951
[4-(6-chloro-2-methylpyrimidin-4-yl)-6-methylmorpholin-2-yl]methanol
CID 102933937
4-(2-methyl-1,3-thiazol-4-yl)-5-N,5-N-dipropyl-1,2-thiazole-3,5-diamine
CID 103381183

Frequently Asked Questions

What is the IUPAC name of [4-[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]-6-methylmorpholin-2-yl]methanol?
The IUPAC name of [4-[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]-6-methylmorpholin-2-yl]methanol (CID 103384839) is [4-[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]-6-methylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]-6-methylmorpholin-2-yl]methanol?
The canonical SMILES for [4-[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]-6-methylmorpholin-2-yl]methanol is Cc1nc(-c2c(N)nsc2N2CC(C)OC(CO)C2)cs1.
What is the InChIKey of [4-[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]-6-methylmorpholin-2-yl]methanol?
The InChIKey is XAYJHTNKGPDNAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S2/c1-7-3-17(4-9(5-18)19-7)13-11(12(14)16-21-13)10-6-20-8(2)15-10/h6-7,9,18H,3-5H2,1-2H3,(H2,14,16).
What are the key properties of [4-[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]-6-methylmorpholin-2-yl]methanol?
[4-[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]-6-methylmorpholin-2-yl]methanol has a molecular weight of 326.45 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]-6-methylmorpholin-2-yl]methanol is sourced from PubChem (CID 103384839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).