N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide

C22H25N3O2S2 — CID 56501664

IUPACN-benzyl-N-(1-morpholin-4-ylpropan-2-yl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
SMILESCC(CN1CCOCC1)N(Cc1ccccc1)C(=O)c1csc(-c2ccsc2)n1
InChIInChI=1S/C22H25N3O2S2/c1-17(13-24-8-10-27-11-9-24)25(14-18-5-3-2-4-6-18)22(26)20-16-29-21(23-20)19-7-12-28-15-19/h2-7,12,15-17H,8-11,13-14H2,1H3
InChIKeyOYRCWRMPFJERKW-UHFFFAOYSA-N
MW427.60 g/mol
LogP4.23
Rot. Bonds7

About N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide

N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide (PubChem CID 56501664) has the molecular formula C22H25N3O2S2 and a molecular weight of 427.60 g/mol. Its IUPAC name is N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-(1-morpholin-4-ylpropan-2-yl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
PubChem CID56501664
Molecular FormulaC22H25N3O2S2
Molecular Weight427.60 g/mol
Exact Mass427.14
IUPAC NameN-benzyl-N-(1-morpholin-4-ylpropan-2-yl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
SMILESCC(CN1CCOCC1)N(Cc1ccccc1)C(=O)c1csc(-c2ccsc2)n1
InChIInChI=1S/C22H25N3O2S2/c1-17(13-24-8-10-27-11-9-24)25(14-18-5-3-2-4-6-18)22(26)20-16-29-21(23-20)19-7-12-28-15-19/h2-7,12,15-17H,8-11,13-14H2,1H3
InChIKeyOYRCWRMPFJERKW-UHFFFAOYSA-N
XLogP4.23
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.60
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

N-[(1R)-2-morpholin-4-yl-1-phenylethyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 9150618
N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 56564217
N-benzyl-5-methyl-N-(1-morpholin-4-ylpropan-2-yl)-1-phenylpyrazole-3-carboxamide
CID 56500963
N-benzyl-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-(1-morpholin-4-ylpropan-2-yl)acetamide
CID 56501103
N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 56500966
N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)-1-oxo-2H-isoquinoline-3-carboxamide
CID 56501654
N-benzyl-4-methyl-2-(5-methylfuran-2-yl)-N-(1-morpholin-4-ylpropan-2-yl)-1,3-thiazole-5-carboxamide
CID 56501633
N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 55550967
N-benzyl-3-chloro-N-(1-morpholin-4-ylpropan-2-yl)benzamide
CID 56501396
N-benzyl-4-(methylsulfonylmethyl)-N-(1-morpholin-4-ylpropan-2-yl)benzamide
CID 56500850
2-amino-N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)pentanamide
CID 119877071
N-(2-morpholin-4-ylethyl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 51253349

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide (CID 56501664) is N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide is CC(CN1CCOCC1)N(Cc1ccccc1)C(=O)c1csc(-c2ccsc2)n1.
What is the InChIKey of N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
The InChIKey is OYRCWRMPFJERKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2S2/c1-17(13-24-8-10-27-11-9-24)25(14-18-5-3-2-4-6-18)22(26)20-16-29-21(23-20)19-7-12-28-15-19/h2-7,12,15-17H,8-11,13-14H2,1H3.
What are the key properties of N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide has a molecular weight of 427.60 g/mol, XLogP of 4.23, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 56501664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).