N-[3-(1H-imidazol-2-yl)phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride

C15H20Cl2N4OS — CID 119941815

IUPACN-[3-(1H-imidazol-2-yl)phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
SMILESCl.Cl.O=C(CC1CSCCN1)Nc1cccc(-c2ncc[nH]2)c1
InChIInChI=1S/C15H18N4OS.2ClH/c20-14(9-13-10-21-7-6-16-13)19-12-3-1-2-11(8-12)15-17-4-5-18-15;;/h1-5,8,13,16H,6-7,9-10H2,(H,17,18)(H,19,20);2*1H
InChIKeyRFKPFPRSHGOCOB-UHFFFAOYSA-N
MW375.33 g/mol
LogP2.95
Rot. Bonds4

About N-[3-(1H-imidazol-2-yl)phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride

N-[3-(1H-imidazol-2-yl)phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride (PubChem CID 119941815) has the molecular formula C15H20Cl2N4OS and a molecular weight of 375.33 g/mol. Its IUPAC name is N-[3-(1H-imidazol-2-yl)phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride.

Molecular Properties

Compound NameN-[3-(1H-imidazol-2-yl)phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
PubChem CID119941815
Molecular FormulaC15H20Cl2N4OS
Molecular Weight375.33 g/mol
Exact Mass374.07
IUPAC NameN-[3-(1H-imidazol-2-yl)phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
SMILESCl.Cl.O=C(CC1CSCCN1)Nc1cccc(-c2ncc[nH]2)c1
InChIInChI=1S/C15H18N4OS.2ClH/c20-14(9-13-10-21-7-6-16-13)19-12-3-1-2-11(8-12)15-17-4-5-18-15;;/h1-5,8,13,16H,6-7,9-10H2,(H,17,18)(H,19,20);2*1H
InChIKeyRFKPFPRSHGOCOB-UHFFFAOYSA-N
XLogP2.95
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.33
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(2-methylpyrimidin-4-yl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119936154
N-[3-(2H-tetrazol-5-yl)phenyl]-2-thiomorpholin-3-ylacetamide
CID 66422837
N-[3-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]propanamide
CID 66422073
N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119940067
2-(cyclopropylmethylamino)-N-[3-(1H-imidazol-2-yl)phenyl]acetamide;dihydrochloride
CID 119871919
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(1H-imidazol-2-yl)phenyl]acetamide;dihydrochloride
CID 119871925
N-[3-[2-(dimethylamino)ethoxy]phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941065
2-amino-N-[3-(1H-imidazol-2-yl)phenyl]acetamide
CID 110470050
N-(3-nitrophenyl)-2-thiomorpholin-3-ylacetamide
CID 66421212
N-[3-(methylsulfamoyl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119937072
N-(2-anilino-2-oxoethyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119937320
N-[3-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]furan-3-carboxamide
CID 119938258

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-imidazol-2-yl)phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride?
The IUPAC name of N-[3-(1H-imidazol-2-yl)phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride (CID 119941815) is N-[3-(1H-imidazol-2-yl)phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride.
What is the SMILES notation for N-[3-(1H-imidazol-2-yl)phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride?
The canonical SMILES for N-[3-(1H-imidazol-2-yl)phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride is Cl.Cl.O=C(CC1CSCCN1)Nc1cccc(-c2ncc[nH]2)c1.
What is the InChIKey of N-[3-(1H-imidazol-2-yl)phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride?
The InChIKey is RFKPFPRSHGOCOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS.2ClH/c20-14(9-13-10-21-7-6-16-13)19-12-3-1-2-11(8-12)15-17-4-5-18-15;;/h1-5,8,13,16H,6-7,9-10H2,(H,17,18)(H,19,20);2*1H.
What are the key properties of N-[3-(1H-imidazol-2-yl)phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride?
N-[3-(1H-imidazol-2-yl)phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride has a molecular weight of 375.33 g/mol, XLogP of 2.95, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-imidazol-2-yl)phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride is sourced from PubChem (CID 119941815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).