2-amino-3-[6-bromo-3-(thiophen-2-ylmethylamino)thieno[3,2-c][1,2]thiazol-5-yl]-1-morpholin-4-ylpropan-1-one

C17H19BrN4O2S3 — CID 170316502

IUPAC2-amino-3-[6-bromo-3-(thiophen-2-ylmethylamino)thieno[3,2-c][1,2]thiazol-5-yl]-1-morpholin-4-ylpropan-1-one
SMILESNC(Cc1sc2c(NCc3cccs3)snc2c1Br)C(=O)N1CCOCC1
InChIInChI=1S/C17H19BrN4O2S3/c18-13-12(8-11(19)17(23)22-3-5-24-6-4-22)26-15-14(13)21-27-16(15)20-9-10-2-1-7-25-10/h1-2,7,11,20H,3-6,8-9,19H2
InChIKeyWQVGLZZKSNBHMS-UHFFFAOYSA-N
MW487.47 g/mol
LogP3.52
Rot. Bonds6

About 2-amino-3-[6-bromo-3-(thiophen-2-ylmethylamino)thieno[3,2-c][1,2]thiazol-5-yl]-1-morpholin-4-ylpropan-1-one

2-amino-3-[6-bromo-3-(thiophen-2-ylmethylamino)thieno[3,2-c][1,2]thiazol-5-yl]-1-morpholin-4-ylpropan-1-one (PubChem CID 170316502) has the molecular formula C17H19BrN4O2S3 and a molecular weight of 487.47 g/mol. Its IUPAC name is 2-amino-3-[6-bromo-3-(thiophen-2-ylmethylamino)thieno[3,2-c][1,2]thiazol-5-yl]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name2-amino-3-[6-bromo-3-(thiophen-2-ylmethylamino)thieno[3,2-c][1,2]thiazol-5-yl]-1-morpholin-4-ylpropan-1-one
PubChem CID170316502
Molecular FormulaC17H19BrN4O2S3
Molecular Weight487.47 g/mol
Exact Mass485.99
IUPAC Name2-amino-3-[6-bromo-3-(thiophen-2-ylmethylamino)thieno[3,2-c][1,2]thiazol-5-yl]-1-morpholin-4-ylpropan-1-one
SMILESNC(Cc1sc2c(NCc3cccs3)snc2c1Br)C(=O)N1CCOCC1
InChIInChI=1S/C17H19BrN4O2S3/c18-13-12(8-11(19)17(23)22-3-5-24-6-4-22)26-15-14(13)21-27-16(15)20-9-10-2-1-7-25-10/h1-2,7,11,20H,3-6,8-9,19H2
InChIKeyWQVGLZZKSNBHMS-UHFFFAOYSA-N
XLogP3.52
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.47
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-amino-3-[6-bromo-3-(thiophen-2-ylmethylamino)thieno[3,2-c][1,2]thiazol-5-yl]-1-morpholin-4-ylpropan-1-one with MolForge

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Related Compounds

1-[6-bromo-3-(thiophen-2-ylmethylamino)thieno[3,2-c][1,2]thiazol-5-yl]propan-1-ol
CID 169266155
3-morpholin-4-yl-3-oxo-2-(thiophen-2-ylmethyl)propanenitrile
CID 82119303
2-amino-1-(4-methylpiperazin-1-yl)-3-thiophen-2-ylpropan-1-one
CID 69185144
2-[(2S)-2-aminobutyl]-3-bromo-5-chloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;dihydrochloride
CID 162390867
2-[(2S)-2-amino-4-fluorobutyl]-3-bromo-5-chloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;hydrochloride
CID 162391081
2-amino-1-(1,4-oxazepan-4-yl)-3-phenylpropan-1-one;hydrochloride
CID 119295495
2-amino-3-phenyl-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 119834080
N-[(2R)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 9117695
2-chloro-1-morpholin-4-yl-2-thiophen-2-ylethanone
CID 62225934
3-[6-bromo-3-[(2-methylpropan-2-yl)oxycarbonyl-(thiophen-2-ylmethyl)amino]thieno[3,2-c][1,2]thiazol-5-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 170316478
(2S)-2-amino-1-[3-bromo-5-chloro-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-one;dihydrochloride
CID 162391090
1-[(1-morpholin-4-ylcyclohexyl)methyl]-3-(thiophen-2-ylmethyl)urea
CID 134056877

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[6-bromo-3-(thiophen-2-ylmethylamino)thieno[3,2-c][1,2]thiazol-5-yl]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 2-amino-3-[6-bromo-3-(thiophen-2-ylmethylamino)thieno[3,2-c][1,2]thiazol-5-yl]-1-morpholin-4-ylpropan-1-one (CID 170316502) is 2-amino-3-[6-bromo-3-(thiophen-2-ylmethylamino)thieno[3,2-c][1,2]thiazol-5-yl]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 2-amino-3-[6-bromo-3-(thiophen-2-ylmethylamino)thieno[3,2-c][1,2]thiazol-5-yl]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 2-amino-3-[6-bromo-3-(thiophen-2-ylmethylamino)thieno[3,2-c][1,2]thiazol-5-yl]-1-morpholin-4-ylpropan-1-one is NC(Cc1sc2c(NCc3cccs3)snc2c1Br)C(=O)N1CCOCC1.
What is the InChIKey of 2-amino-3-[6-bromo-3-(thiophen-2-ylmethylamino)thieno[3,2-c][1,2]thiazol-5-yl]-1-morpholin-4-ylpropan-1-one?
The InChIKey is WQVGLZZKSNBHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN4O2S3/c18-13-12(8-11(19)17(23)22-3-5-24-6-4-22)26-15-14(13)21-27-16(15)20-9-10-2-1-7-25-10/h1-2,7,11,20H,3-6,8-9,19H2.
What are the key properties of 2-amino-3-[6-bromo-3-(thiophen-2-ylmethylamino)thieno[3,2-c][1,2]thiazol-5-yl]-1-morpholin-4-ylpropan-1-one?
2-amino-3-[6-bromo-3-(thiophen-2-ylmethylamino)thieno[3,2-c][1,2]thiazol-5-yl]-1-morpholin-4-ylpropan-1-one has a molecular weight of 487.47 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[6-bromo-3-(thiophen-2-ylmethylamino)thieno[3,2-c][1,2]thiazol-5-yl]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 170316502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).