N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride

C14H29Cl2N3O2S — CID 119839593

IUPACN-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride
SMILESCC1CN(C(C)(C)CNC(=O)C2CSCN2)CC(C)O1.Cl.Cl
InChIInChI=1S/C14H27N3O2S.2ClH/c1-10-5-17(6-11(2)19-10)14(3,4)8-15-13(18)12-7-20-9-16-12;;/h10-12,16H,5-9H2,1-4H3,(H,15,18);2*1H
InChIKeyJUHLYYMRKRLEIQ-UHFFFAOYSA-N
MW374.38 g/mol
LogP1.50
Rot. Bonds4

About N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride

N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride (PubChem CID 119839593) has the molecular formula C14H29Cl2N3O2S and a molecular weight of 374.38 g/mol. Its IUPAC name is N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride
PubChem CID119839593
Molecular FormulaC14H29Cl2N3O2S
Molecular Weight374.38 g/mol
Exact Mass373.14
IUPAC NameN-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride
SMILESCC1CN(C(C)(C)CNC(=O)C2CSCN2)CC(C)O1.Cl.Cl
InChIInChI=1S/C14H27N3O2S.2ClH/c1-10-5-17(6-11(2)19-10)14(3,4)8-15-13(18)12-7-20-9-16-12;;/h10-12,16H,5-9H2,1-4H3,(H,15,18);2*1H
InChIKeyJUHLYYMRKRLEIQ-UHFFFAOYSA-N
XLogP1.50
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.38
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methyl-2-morpholin-4-ylpropyl)-1,3-thiazolidine-4-carboxamide;dihydrochloride
CID 119830240
N-[2-(dimethylamino)-2-methylpropyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride
CID 119830630
2-amino-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-2-methylpropanamide;dihydrochloride
CID 119839527
(4S)-N-(2-methyl-2-methylsulfanylpropyl)-1,3-thiazolidine-4-carboxamide
CID 119327774
N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119839550
(4S)-N-[[2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]-1,3-thiazolidine-4-carboxamide
CID 124694508
N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]piperidine-3-carboxamide;dihydrochloride
CID 119839517
ethyl 2-[[(4S)-1,3-thiazolidine-4-carbonyl]amino]acetate;hydrochloride
CID 119279987
(2S)-2-amino-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-4-methylpentanamide
CID 119839592
N-tert-butyl-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 47003078
(4S)-N-(2-acetamidoethyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119268318
2-(cyclopropylmethylamino)-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]acetamide
CID 119839560

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride?
The IUPAC name of N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride (CID 119839593) is N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride?
The canonical SMILES for N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride is CC1CN(C(C)(C)CNC(=O)C2CSCN2)CC(C)O1.Cl.Cl.
What is the InChIKey of N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride?
The InChIKey is JUHLYYMRKRLEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2S.2ClH/c1-10-5-17(6-11(2)19-10)14(3,4)8-15-13(18)12-7-20-9-16-12;;/h10-12,16H,5-9H2,1-4H3,(H,15,18);2*1H.
What are the key properties of N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride?
N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride has a molecular weight of 374.38 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119839593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).