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

C12H16ClN3O4S — CID 83104712

IUPACmethyl 4-chloro-2-[3-(ethylcarbamoyl)morpholin-4-yl]-1,3-thiazole-5-carboxylate
SMILESCCNC(=O)C1COCCN1c1nc(Cl)c(C(=O)OC)s1
InChIInChI=1S/C12H16ClN3O4S/c1-3-14-10(17)7-6-20-5-4-16(7)12-15-9(13)8(21-12)11(18)19-2/h7H,3-6H2,1-2H3,(H,14,17)
InChIKeyPYMROKFQWPAYSF-UHFFFAOYSA-N
MW333.80 g/mol
LogP0.92
Rot. Bonds4

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

methyl 4-chloro-2-[3-(ethylcarbamoyl)morpholin-4-yl]-1,3-thiazole-5-carboxylate (PubChem CID 83104712) has the molecular formula C12H16ClN3O4S and a molecular weight of 333.80 g/mol. Its IUPAC name is methyl 4-chloro-2-[3-(ethylcarbamoyl)morpholin-4-yl]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-chloro-2-[3-(ethylcarbamoyl)morpholin-4-yl]-1,3-thiazole-5-carboxylate
PubChem CID83104712
Molecular FormulaC12H16ClN3O4S
Molecular Weight333.80 g/mol
Exact Mass333.06
IUPAC Namemethyl 4-chloro-2-[3-(ethylcarbamoyl)morpholin-4-yl]-1,3-thiazole-5-carboxylate
SMILESCCNC(=O)C1COCCN1c1nc(Cl)c(C(=O)OC)s1
InChIInChI=1S/C12H16ClN3O4S/c1-3-14-10(17)7-6-20-5-4-16(7)12-15-9(13)8(21-12)11(18)19-2/h7H,3-6H2,1-2H3,(H,14,17)
InChIKeyPYMROKFQWPAYSF-UHFFFAOYSA-N
XLogP0.92
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.80
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(2-chloro-6-methylpyrimidin-4-yl)-N-ethylmorpholine-3-carboxamide
CID 83103546
5-[3-(ethylcarbamoyl)morpholin-4-yl]thiophene-2-carboxylic acid
CID 83100843
methyl 4-chloro-2-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]-1,3-thiazole-5-carboxylate
CID 133453113
methyl 4-chloro-2-(5-ethyl-2-methylmorpholin-4-yl)-1,3-thiazole-5-carboxylate
CID 61424655
4-(5-amino-6-methoxy-2-pyridinyl)-N-ethylmorpholine-3-carboxamide
CID 83106690
4-(4-chloro-5-formyl-1,3-thiazol-2-yl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83100280
4-(5-chloro-1,3,4-thiadiazole-2-carbonyl)-N-ethylmorpholine-3-carboxamide
CID 83098826
methyl 3-(ethylcarbamoyl)morpholine-4-carboxylate
CID 116657408
4-(4-chloro-5-formyl-1,3-thiazol-2-yl)morpholine-3-carboxamide
CID 83096652
4-(3,6-dichloro-1,2,4-triazin-5-yl)-N-propylmorpholine-3-carboxamide
CID 83103198
methyl 4-chloro-2-(2,4-dimethylpiperazin-1-yl)-1,3-thiazole-5-carboxylate
CID 103894525
4-[5-bromo-2-(methylamino)pyrimidin-4-yl]-N-ethylmorpholine-3-carboxamide
CID 83105980

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-2-[3-(ethylcarbamoyl)morpholin-4-yl]-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 4-chloro-2-[3-(ethylcarbamoyl)morpholin-4-yl]-1,3-thiazole-5-carboxylate (CID 83104712) is methyl 4-chloro-2-[3-(ethylcarbamoyl)morpholin-4-yl]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 4-chloro-2-[3-(ethylcarbamoyl)morpholin-4-yl]-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 4-chloro-2-[3-(ethylcarbamoyl)morpholin-4-yl]-1,3-thiazole-5-carboxylate is CCNC(=O)C1COCCN1c1nc(Cl)c(C(=O)OC)s1.
What is the InChIKey of methyl 4-chloro-2-[3-(ethylcarbamoyl)morpholin-4-yl]-1,3-thiazole-5-carboxylate?
The InChIKey is PYMROKFQWPAYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O4S/c1-3-14-10(17)7-6-20-5-4-16(7)12-15-9(13)8(21-12)11(18)19-2/h7H,3-6H2,1-2H3,(H,14,17).
What are the key properties of methyl 4-chloro-2-[3-(ethylcarbamoyl)morpholin-4-yl]-1,3-thiazole-5-carboxylate?
methyl 4-chloro-2-[3-(ethylcarbamoyl)morpholin-4-yl]-1,3-thiazole-5-carboxylate has a molecular weight of 333.80 g/mol, XLogP of 0.92, 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-[3-(ethylcarbamoyl)morpholin-4-yl]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 83104712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).