N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]morpholine-3-carboxamide;dihydrochloride

C13H23Cl2N3O2S — CID 119869432

IUPACN-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]morpholine-3-carboxamide;dihydrochloride
SMILESCC(C)c1nc(CCNC(=O)C2COCCN2)cs1.Cl.Cl
InChIInChI=1S/C13H21N3O2S.2ClH/c1-9(2)13-16-10(8-19-13)3-4-15-12(17)11-7-18-6-5-14-11;;/h8-9,11,14H,3-7H2,1-2H3,(H,15,17);2*1H
InChIKeyIWUCUHMFHWMVHZ-UHFFFAOYSA-N
MW356.32 g/mol
LogP1.76
Rot. Bonds5

About N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]morpholine-3-carboxamide;dihydrochloride

N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]morpholine-3-carboxamide;dihydrochloride (PubChem CID 119869432) has the molecular formula C13H23Cl2N3O2S and a molecular weight of 356.32 g/mol. Its IUPAC name is N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]morpholine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]morpholine-3-carboxamide;dihydrochloride
PubChem CID119869432
Molecular FormulaC13H23Cl2N3O2S
Molecular Weight356.32 g/mol
Exact Mass355.09
IUPAC NameN-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]morpholine-3-carboxamide;dihydrochloride
SMILESCC(C)c1nc(CCNC(=O)C2COCCN2)cs1.Cl.Cl
InChIInChI=1S/C13H21N3O2S.2ClH/c1-9(2)13-16-10(8-19-13)3-4-15-12(17)11-7-18-6-5-14-11;;/h8-9,11,14H,3-7H2,1-2H3,(H,15,17);2*1H
InChIKeyIWUCUHMFHWMVHZ-UHFFFAOYSA-N
XLogP1.76
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.32
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]piperidine-2-carboxamide;dihydrochloride
CID 119869426
N-(2-pyridin-2-ylethyl)morpholine-3-carboxamide;dihydrochloride
CID 119827893
cis-(1R,2S)-2-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 125132098
2-amino-2-(oxan-4-yl)-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]acetamide
CID 120799376
5-(4-hydroxyphenyl)-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyrazolidine-3-carboxamide
CID 134077046
N-[2-(4-ethylphenyl)ethyl]morpholine-3-carboxamide
CID 115177646
N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide
CID 70724211
(4R)-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide
CID 95866555
2-amino-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]acetamide;dihydrochloride
CID 119869470
N-[2-(5-chlorothiophen-2-yl)ethyl]morpholine-3-carboxamide;hydrochloride
CID 119735842
N-[2-(1,2,4-oxadiazol-5-yl)ethyl]morpholine-3-carboxamide
CID 106397412
N-[2-(3,5-dichlorophenyl)ethyl]morpholine-3-carboxamide
CID 119752644

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]morpholine-3-carboxamide;dihydrochloride?
The IUPAC name of N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]morpholine-3-carboxamide;dihydrochloride (CID 119869432) is N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]morpholine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]morpholine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]morpholine-3-carboxamide;dihydrochloride is CC(C)c1nc(CCNC(=O)C2COCCN2)cs1.Cl.Cl.
What is the InChIKey of N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]morpholine-3-carboxamide;dihydrochloride?
The InChIKey is IWUCUHMFHWMVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S.2ClH/c1-9(2)13-16-10(8-19-13)3-4-15-12(17)11-7-18-6-5-14-11;;/h8-9,11,14H,3-7H2,1-2H3,(H,15,17);2*1H.
What are the key properties of N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]morpholine-3-carboxamide;dihydrochloride?
N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]morpholine-3-carboxamide;dihydrochloride has a molecular weight of 356.32 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]morpholine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119869432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).