N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]morpholine-2-carboxamide

C12H19N3O2S — CID 56882442

IUPACN-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]morpholine-2-carboxamide
SMILESCc1nc(CCNC(=O)C2CNCCO2)sc1C
InChIInChI=1S/C12H19N3O2S/c1-8-9(2)18-11(15-8)3-4-14-12(16)10-7-13-5-6-17-10/h10,13H,3-7H2,1-2H3,(H,14,16)
InChIKeyCBEFDBOGQOKLFH-UHFFFAOYSA-N
MW269.37 g/mol
LogP0.41
Rot. Bonds4

About N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]morpholine-2-carboxamide

N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]morpholine-2-carboxamide (PubChem CID 56882442) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]morpholine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]morpholine-2-carboxamide
PubChem CID56882442
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC NameN-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]morpholine-2-carboxamide
SMILESCc1nc(CCNC(=O)C2CNCCO2)sc1C
InChIInChI=1S/C12H19N3O2S/c1-8-9(2)18-11(15-8)3-4-14-12(16)10-7-13-5-6-17-10/h10,13H,3-7H2,1-2H3,(H,14,16)
InChIKeyCBEFDBOGQOKLFH-UHFFFAOYSA-N
XLogP0.41
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4,5-Dimethyl-1,3-thiazol-2-YL)methyl]-2-(2-methoxyethoxy)acetamide
CID 90649803
(2S)-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]oxolane-2-carboxamide
CID 100186892
(2S)-N-[2-(5-chloro-4-methyl-1,3-thiazol-2-yl)ethyl]-2-ethoxypropanamide
CID 126450914
1-(2,6-Dimethylmorpholin-4-yl)-2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylamino]ethanone
CID 71868850
N-[(2-Ethyl-4-methyl-1,3-thiazol-5-YL)methyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide
CID 91764464
N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]morpholine-2-carboxamide
CID 119805430
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-(3-morpholinyl)acetamide
CID 56888457
N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-2-(3-morpholinyl)acetamide
CID 56912746
2-(4,5-Dimethyl-1,3-thiazol-2-yl)-1-morpholin-4-ylethanone
CID 91565611
2-(4,5-Dimethyl-1,3-thiazol-3-ium-2-yl)-1-morpholin-4-ylethanone
CID 173154626
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]oxolane-2-carboxamide
CID 45251203
4-(2-Tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)morpholine-2-carboxamide
CID 49417003

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]morpholine-2-carboxamide?
The IUPAC name of N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]morpholine-2-carboxamide (CID 56882442) is N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]morpholine-2-carboxamide.
What is the SMILES notation for N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]morpholine-2-carboxamide?
The canonical SMILES for N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]morpholine-2-carboxamide is Cc1nc(CCNC(=O)C2CNCCO2)sc1C.
What is the InChIKey of N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]morpholine-2-carboxamide?
The InChIKey is CBEFDBOGQOKLFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-8-9(2)18-11(15-8)3-4-14-12(16)10-7-13-5-6-17-10/h10,13H,3-7H2,1-2H3,(H,14,16).
What are the key properties of N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]morpholine-2-carboxamide?
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]morpholine-2-carboxamide has a molecular weight of 269.37 g/mol, XLogP of 0.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]morpholine-2-carboxamide is sourced from PubChem (CID 56882442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).