N-(1,3-thiazol-2-ylmethyl)morpholine-2-carboxamide;dihydrochloride

C9H15Cl2N3O2S — CID 119858588

IUPACN-(1,3-thiazol-2-ylmethyl)morpholine-2-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCc1nccs1)C1CNCCO1
InChIInChI=1S/C9H13N3O2S.2ClH/c13-9(7-5-10-1-3-14-7)12-6-8-11-2-4-15-8;;/h2,4,7,10H,1,3,5-6H2,(H,12,13);2*1H
InChIKeyHUXSGAGWONKXJO-UHFFFAOYSA-N
MW300.21 g/mol
LogP0.59
Rot. Bonds3

About N-(1,3-thiazol-2-ylmethyl)morpholine-2-carboxamide;dihydrochloride

N-(1,3-thiazol-2-ylmethyl)morpholine-2-carboxamide;dihydrochloride (PubChem CID 119858588) has the molecular formula C9H15Cl2N3O2S and a molecular weight of 300.21 g/mol. Its IUPAC name is N-(1,3-thiazol-2-ylmethyl)morpholine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(1,3-thiazol-2-ylmethyl)morpholine-2-carboxamide;dihydrochloride
PubChem CID119858588
Molecular FormulaC9H15Cl2N3O2S
Molecular Weight300.21 g/mol
Exact Mass299.03
IUPAC NameN-(1,3-thiazol-2-ylmethyl)morpholine-2-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCc1nccs1)C1CNCCO1
InChIInChI=1S/C9H13N3O2S.2ClH/c13-9(7-5-10-1-3-14-7)12-6-8-11-2-4-15-8;;/h2,4,7,10H,1,3,5-6H2,(H,12,13);2*1H
InChIKeyHUXSGAGWONKXJO-UHFFFAOYSA-N
XLogP0.59
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.21
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-(1,3-thiazol-2-yl)morpholine-2-carboxamide;hydrochloride
CID 130747951
(3S)-N-(1,3-thiazol-2-ylmethyl)pyrrolidine-3-carboxamide
CID 94916816
(2S)-N-[(3-methyl-2-pyridinyl)methyl]morpholine-2-carboxamide
CID 92632288
N-[2-(1,3-thiazol-2-yl)butan-2-yl]morpholine-2-carboxamide
CID 119892435
N-[(3-bromophenyl)methyl]morpholine-2-carboxamide;hydrochloride
CID 119705770
N-[phenyl(1,3-thiazol-2-yl)methyl]morpholine-2-carboxamide;hydrochloride
CID 119757947
N-[[4-(ethoxymethyl)phenyl]methyl]morpholine-2-carboxamide;hydrochloride
CID 119718295
5-oxo-N-(1,3-thiazol-2-ylmethyl)pyrrolidine-3-carboxamide
CID 78983445
(2R)-N-(azetidin-3-ylmethyl)morpholine-2-carboxamide;hydrochloride
CID 130702713
N-[(2-ethylphenyl)methyl]morpholine-2-carboxamide
CID 64682849
N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]morpholine-2-carboxamide;dihydrochloride
CID 119846941
N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)morpholine-2-carboxamide;hydrochloride
CID 154900926

Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-2-ylmethyl)morpholine-2-carboxamide;dihydrochloride?
The IUPAC name of N-(1,3-thiazol-2-ylmethyl)morpholine-2-carboxamide;dihydrochloride (CID 119858588) is N-(1,3-thiazol-2-ylmethyl)morpholine-2-carboxamide;dihydrochloride.
What is the SMILES notation for N-(1,3-thiazol-2-ylmethyl)morpholine-2-carboxamide;dihydrochloride?
The canonical SMILES for N-(1,3-thiazol-2-ylmethyl)morpholine-2-carboxamide;dihydrochloride is Cl.Cl.O=C(NCc1nccs1)C1CNCCO1.
What is the InChIKey of N-(1,3-thiazol-2-ylmethyl)morpholine-2-carboxamide;dihydrochloride?
The InChIKey is HUXSGAGWONKXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2S.2ClH/c13-9(7-5-10-1-3-14-7)12-6-8-11-2-4-15-8;;/h2,4,7,10H,1,3,5-6H2,(H,12,13);2*1H.
What are the key properties of N-(1,3-thiazol-2-ylmethyl)morpholine-2-carboxamide;dihydrochloride?
N-(1,3-thiazol-2-ylmethyl)morpholine-2-carboxamide;dihydrochloride has a molecular weight of 300.21 g/mol, XLogP of 0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-2-ylmethyl)morpholine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119858588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).