methyl 4-tert-butyl-2-(morpholine-3-carbonylamino)-1,3-thiazole-5-carboxylate;hydrochloride

C14H22ClN3O4S — CID 119810039

IUPACmethyl 4-tert-butyl-2-(morpholine-3-carbonylamino)-1,3-thiazole-5-carboxylate;hydrochloride
SMILESCOC(=O)c1sc(NC(=O)C2COCCN2)nc1C(C)(C)C.Cl
InChIInChI=1S/C14H21N3O4S.ClH/c1-14(2,3)10-9(12(19)20-4)22-13(16-10)17-11(18)8-7-21-6-5-15-8;/h8,15H,5-7H2,1-4H3,(H,16,17,18);1H
InChIKeyVUHYQDJBWGSWSP-UHFFFAOYSA-N
MW363.87 g/mol
LogP1.58
Rot. Bonds3

About methyl 4-tert-butyl-2-(morpholine-3-carbonylamino)-1,3-thiazole-5-carboxylate;hydrochloride

methyl 4-tert-butyl-2-(morpholine-3-carbonylamino)-1,3-thiazole-5-carboxylate;hydrochloride (PubChem CID 119810039) has the molecular formula C14H22ClN3O4S and a molecular weight of 363.87 g/mol. Its IUPAC name is methyl 4-tert-butyl-2-(morpholine-3-carbonylamino)-1,3-thiazole-5-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 4-tert-butyl-2-(morpholine-3-carbonylamino)-1,3-thiazole-5-carboxylate;hydrochloride
PubChem CID119810039
Molecular FormulaC14H22ClN3O4S
Molecular Weight363.87 g/mol
Exact Mass363.10
IUPAC Namemethyl 4-tert-butyl-2-(morpholine-3-carbonylamino)-1,3-thiazole-5-carboxylate;hydrochloride
SMILESCOC(=O)c1sc(NC(=O)C2COCCN2)nc1C(C)(C)C.Cl
InChIInChI=1S/C14H21N3O4S.ClH/c1-14(2,3)10-9(12(19)20-4)22-13(16-10)17-11(18)8-7-21-6-5-15-8;/h8,15H,5-7H2,1-4H3,(H,16,17,18);1H
InChIKeyVUHYQDJBWGSWSP-UHFFFAOYSA-N
XLogP1.58
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.87
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 4-tert-butyl-2-(morpholine-3-carbonylamino)-1,3-thiazole-5-carboxylate;hydrochloride?
The IUPAC name of methyl 4-tert-butyl-2-(morpholine-3-carbonylamino)-1,3-thiazole-5-carboxylate;hydrochloride (CID 119810039) is methyl 4-tert-butyl-2-(morpholine-3-carbonylamino)-1,3-thiazole-5-carboxylate;hydrochloride.
What is the SMILES notation for methyl 4-tert-butyl-2-(morpholine-3-carbonylamino)-1,3-thiazole-5-carboxylate;hydrochloride?
The canonical SMILES for methyl 4-tert-butyl-2-(morpholine-3-carbonylamino)-1,3-thiazole-5-carboxylate;hydrochloride is COC(=O)c1sc(NC(=O)C2COCCN2)nc1C(C)(C)C.Cl.
What is the InChIKey of methyl 4-tert-butyl-2-(morpholine-3-carbonylamino)-1,3-thiazole-5-carboxylate;hydrochloride?
The InChIKey is VUHYQDJBWGSWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4S.ClH/c1-14(2,3)10-9(12(19)20-4)22-13(16-10)17-11(18)8-7-21-6-5-15-8;/h8,15H,5-7H2,1-4H3,(H,16,17,18);1H.
What are the key properties of methyl 4-tert-butyl-2-(morpholine-3-carbonylamino)-1,3-thiazole-5-carboxylate;hydrochloride?
methyl 4-tert-butyl-2-(morpholine-3-carbonylamino)-1,3-thiazole-5-carboxylate;hydrochloride has a molecular weight of 363.87 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-tert-butyl-2-(morpholine-3-carbonylamino)-1,3-thiazole-5-carboxylate;hydrochloride is sourced from PubChem (CID 119810039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).