4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carboxamide;dihydrochloride

C9H15Cl2N3O2S — CID 69277809

IUPAC4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carboxamide;dihydrochloride
SMILESCc1nc(N2CCOCC2)sc1C(N)=O.Cl.Cl
InChIInChI=1S/C9H13N3O2S.2ClH/c1-6-7(8(10)13)15-9(11-6)12-2-4-14-5-3-12;;/h2-5H2,1H3,(H2,10,13);2*1H
InChIKeyBMXYYDPUTSHHLE-UHFFFAOYSA-N
MW300.21 g/mol
LogP1.23
Rot. Bonds2

About 4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carboxamide;dihydrochloride

4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carboxamide;dihydrochloride (PubChem CID 69277809) has the molecular formula C9H15Cl2N3O2S and a molecular weight of 300.21 g/mol. Its IUPAC name is 4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carboxamide;dihydrochloride.

Molecular Properties

Compound Name4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carboxamide;dihydrochloride
PubChem CID69277809
Molecular FormulaC9H15Cl2N3O2S
Molecular Weight300.21 g/mol
Exact Mass299.03
IUPAC Name4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carboxamide;dihydrochloride
SMILESCc1nc(N2CCOCC2)sc1C(N)=O.Cl.Cl
InChIInChI=1S/C9H13N3O2S.2ClH/c1-6-7(8(10)13)15-9(11-6)12-2-4-14-5-3-12;;/h2-5H2,1H3,(H2,10,13);2*1H
InChIKeyBMXYYDPUTSHHLE-UHFFFAOYSA-N
XLogP1.23
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.21
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carboxamide;dihydrochloride?
The IUPAC name of 4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carboxamide;dihydrochloride (CID 69277809) is 4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carboxamide;dihydrochloride.
What is the SMILES notation for 4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carboxamide;dihydrochloride?
The canonical SMILES for 4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carboxamide;dihydrochloride is Cc1nc(N2CCOCC2)sc1C(N)=O.Cl.Cl.
What is the InChIKey of 4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carboxamide;dihydrochloride?
The InChIKey is BMXYYDPUTSHHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2S.2ClH/c1-6-7(8(10)13)15-9(11-6)12-2-4-14-5-3-12;;/h2-5H2,1H3,(H2,10,13);2*1H.
What are the key properties of 4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carboxamide;dihydrochloride?
4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carboxamide;dihydrochloride has a molecular weight of 300.21 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carboxamide;dihydrochloride is sourced from PubChem (CID 69277809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).