methyl 4-chloro-2-[(4-methylmorpholin-2-yl)methylamino]-1,3-thiazole-5-carboxylate

C11H16ClN3O3S — CID 78952494

IUPACmethyl 4-chloro-2-[(4-methylmorpholin-2-yl)methylamino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(NCC2CN(C)CCO2)nc1Cl
InChIInChI=1S/C11H16ClN3O3S/c1-15-3-4-18-7(6-15)5-13-11-14-9(12)8(19-11)10(16)17-2/h7H,3-6H2,1-2H3,(H,13,14)
InChIKeyWXZORHXUUUOXBV-UHFFFAOYSA-N
MW305.79 g/mol
LogP1.33
Rot. Bonds4

About methyl 4-chloro-2-[(4-methylmorpholin-2-yl)methylamino]-1,3-thiazole-5-carboxylate

methyl 4-chloro-2-[(4-methylmorpholin-2-yl)methylamino]-1,3-thiazole-5-carboxylate (PubChem CID 78952494) has the molecular formula C11H16ClN3O3S and a molecular weight of 305.79 g/mol. Its IUPAC name is methyl 4-chloro-2-[(4-methylmorpholin-2-yl)methylamino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-chloro-2-[(4-methylmorpholin-2-yl)methylamino]-1,3-thiazole-5-carboxylate
PubChem CID78952494
Molecular FormulaC11H16ClN3O3S
Molecular Weight305.79 g/mol
Exact Mass305.06
IUPAC Namemethyl 4-chloro-2-[(4-methylmorpholin-2-yl)methylamino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(NCC2CN(C)CCO2)nc1Cl
InChIInChI=1S/C11H16ClN3O3S/c1-15-3-4-18-7(6-15)5-13-11-14-9(12)8(19-11)10(16)17-2/h7H,3-6H2,1-2H3,(H,13,14)
InChIKeyWXZORHXUUUOXBV-UHFFFAOYSA-N
XLogP1.33
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.79
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 4-chloro-2-[(4-methylmorpholin-2-yl)methylamino]-1,3-thiazole-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-chloro-2-(oxan-4-ylmethylamino)-1,3-thiazole-5-carboxylate
CID 62350309
methyl 4-chloro-2-[(4-methylcyclohexyl)methylamino]-1,3-thiazole-5-carboxylate
CID 61372601
5-chloro-N-[(4-methylmorpholin-2-yl)methyl]-1,3-benzothiazol-2-amine
CID 79072334
ethyl 2-[2-[(4-methylmorpholin-2-yl)methylamino]-1,3-thiazol-4-yl]acetate
CID 80576501
methyl 4-chloro-2-[(2-cyclopropyloxolan-3-yl)amino]-1,3-thiazole-5-carboxylate
CID 113341175
methyl 4-chloro-2-[(4-hydroxyoxan-4-yl)methylamino]-1,3-thiazole-5-carboxylate
CID 79003353
5-(ethylamino)-N-[(4-methylmorpholin-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 80624606
methyl 4-chloro-2-[[(2R)-2-hydroxypropyl]amino]-1,3-thiazole-5-carboxylate
CID 93314166
methyl 4-chloro-2-(2-methylprop-2-enylamino)-1,3-thiazole-5-carboxylate
CID 104952855
methyl 2-[(4-methylmorpholin-2-yl)methylamino]-2-oxoacetate
CID 112617409
1-[3-amino-5-[(4-methylmorpholin-2-yl)methylamino]thiophen-2-yl]propan-1-one
CID 103506797
methyl 4-chloro-2-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]-1,3-thiazole-5-carboxylate
CID 133281943

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-2-[(4-methylmorpholin-2-yl)methylamino]-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 4-chloro-2-[(4-methylmorpholin-2-yl)methylamino]-1,3-thiazole-5-carboxylate (CID 78952494) is methyl 4-chloro-2-[(4-methylmorpholin-2-yl)methylamino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 4-chloro-2-[(4-methylmorpholin-2-yl)methylamino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 4-chloro-2-[(4-methylmorpholin-2-yl)methylamino]-1,3-thiazole-5-carboxylate is COC(=O)c1sc(NCC2CN(C)CCO2)nc1Cl.
What is the InChIKey of methyl 4-chloro-2-[(4-methylmorpholin-2-yl)methylamino]-1,3-thiazole-5-carboxylate?
The InChIKey is WXZORHXUUUOXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O3S/c1-15-3-4-18-7(6-15)5-13-11-14-9(12)8(19-11)10(16)17-2/h7H,3-6H2,1-2H3,(H,13,14).
What are the key properties of methyl 4-chloro-2-[(4-methylmorpholin-2-yl)methylamino]-1,3-thiazole-5-carboxylate?
methyl 4-chloro-2-[(4-methylmorpholin-2-yl)methylamino]-1,3-thiazole-5-carboxylate has a molecular weight of 305.79 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-2-[(4-methylmorpholin-2-yl)methylamino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 78952494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).