N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-2-thiomorpholin-3-ylacetamide;dihydrochloride

C14H25Cl2N3OS2 — CID 119942290

IUPACN-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
SMILESCc1nc(C(C)(C)NC(=O)CC2CSCCN2)sc1C.Cl.Cl
InChIInChI=1S/C14H23N3OS2.2ClH/c1-9-10(2)20-13(16-9)14(3,4)17-12(18)7-11-8-19-6-5-15-11;;/h11,15H,5-8H2,1-4H3,(H,17,18);2*1H
InChIKeyREDNWKHVVBZCNQ-UHFFFAOYSA-N
MW386.41 g/mol
LogP3.05
Rot. Bonds4

About N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-2-thiomorpholin-3-ylacetamide;dihydrochloride

N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-2-thiomorpholin-3-ylacetamide;dihydrochloride (PubChem CID 119942290) has the molecular formula C14H25Cl2N3OS2 and a molecular weight of 386.41 g/mol. Its IUPAC name is N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-2-thiomorpholin-3-ylacetamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
PubChem CID119942290
Molecular FormulaC14H25Cl2N3OS2
Molecular Weight386.41 g/mol
Exact Mass385.08
IUPAC NameN-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
SMILESCc1nc(C(C)(C)NC(=O)CC2CSCCN2)sc1C.Cl.Cl
InChIInChI=1S/C14H23N3OS2.2ClH/c1-9-10(2)20-13(16-9)14(3,4)17-12(18)7-11-8-19-6-5-15-11;;/h11,15H,5-8H2,1-4H3,(H,17,18);2*1H
InChIKeyREDNWKHVVBZCNQ-UHFFFAOYSA-N
XLogP3.05
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiomorpholin-3-ylacetamide
CID 66420895
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 119942335
3-methyl-3-[(2-thiomorpholin-3-ylacetyl)amino]butanoic acid
CID 66420329
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-thiomorpholin-3-ylacetamide
CID 114155796
N-[2-(3,4-dichlorophenyl)propan-2-yl]-2-thiomorpholin-3-ylacetamide
CID 119938128
ethyl 2-methyl-2-[(2-thiomorpholin-3-ylacetyl)amino]propanoate;hydrochloride
CID 119938665
2-cyclopent-2-en-1-yl-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]acetamide
CID 56793632
N-(2,2-dimethylpropyl)-2-thiomorpholin-3-ylacetamide
CID 66422271
2-phenyl-2-[(2-thiomorpholin-3-ylacetyl)amino]propanamide
CID 119938213
N-[2-(tert-butylamino)-2-oxoethyl]-2-thiomorpholin-3-ylacetamide
CID 66423008
2-hydroxy-2-methyl-3-[(2-thiomorpholin-3-ylacetyl)amino]propanoic acid
CID 66420533
(2R)-3,3-dimethyl-2-[(2-thiomorpholin-3-ylacetyl)amino]butanoic acid
CID 113353132

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-2-thiomorpholin-3-ylacetamide;dihydrochloride?
The IUPAC name of N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-2-thiomorpholin-3-ylacetamide;dihydrochloride (CID 119942290) is N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-2-thiomorpholin-3-ylacetamide;dihydrochloride.
What is the SMILES notation for N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-2-thiomorpholin-3-ylacetamide;dihydrochloride?
The canonical SMILES for N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-2-thiomorpholin-3-ylacetamide;dihydrochloride is Cc1nc(C(C)(C)NC(=O)CC2CSCCN2)sc1C.Cl.Cl.
What is the InChIKey of N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-2-thiomorpholin-3-ylacetamide;dihydrochloride?
The InChIKey is REDNWKHVVBZCNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS2.2ClH/c1-9-10(2)20-13(16-9)14(3,4)17-12(18)7-11-8-19-6-5-15-11;;/h11,15H,5-8H2,1-4H3,(H,17,18);2*1H.
What are the key properties of N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-2-thiomorpholin-3-ylacetamide;dihydrochloride?
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-2-thiomorpholin-3-ylacetamide;dihydrochloride has a molecular weight of 386.41 g/mol, XLogP of 3.05, 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)propan-2-yl]-2-thiomorpholin-3-ylacetamide;dihydrochloride is sourced from PubChem (CID 119942290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).