(5-chlorothiophen-2-yl)-[4-[(2R)-2-ethyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl]piperazin-1-yl]methanone

C17H20ClN5OS — CID 95106525

IUPAC(5-chlorothiophen-2-yl)-[4-[(2R)-2-ethyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl]piperazin-1-yl]methanone
SMILESCC[C@@H]1CN2C=NC(N3CCN(C(=O)c4ccc(Cl)s4)CC3)=CC2=N1
InChIInChI=1S/C17H20ClN5OS/c1-2-12-10-23-11-19-15(9-16(23)20-12)21-5-7-22(8-6-21)17(24)13-3-4-14(18)25-13/h3-4,9,11-12H,2,5-8,10H2,1H3/t12-/m1/s1
InChIKeyZXFNTYLYAKMBLN-GFCCVEGCSA-N
MW377.90 g/mol
LogP2.54
Rot. Bonds3

About (5-chlorothiophen-2-yl)-[4-[(2R)-2-ethyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl]piperazin-1-yl]methanone

(5-chlorothiophen-2-yl)-[4-[(2R)-2-ethyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl]piperazin-1-yl]methanone (PubChem CID 95106525) has the molecular formula C17H20ClN5OS and a molecular weight of 377.90 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)-[4-[(2R)-2-ethyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)-[4-[(2R)-2-ethyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl]piperazin-1-yl]methanone
PubChem CID95106525
Molecular FormulaC17H20ClN5OS
Molecular Weight377.90 g/mol
Exact Mass377.11
IUPAC Name(5-chlorothiophen-2-yl)-[4-[(2R)-2-ethyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl]piperazin-1-yl]methanone
SMILESCC[C@@H]1CN2C=NC(N3CCN(C(=O)c4ccc(Cl)s4)CC3)=CC2=N1
InChIInChI=1S/C17H20ClN5OS/c1-2-12-10-23-11-19-15(9-16(23)20-12)21-5-7-22(8-6-21)17(24)13-3-4-14(18)25-13/h3-4,9,11-12H,2,5-8,10H2,1H3/t12-/m1/s1
InChIKeyZXFNTYLYAKMBLN-GFCCVEGCSA-N
XLogP2.54
TPSA51.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.90
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (5-chlorothiophen-2-yl)-[4-[(2R)-2-ethyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl]piperazin-1-yl]methanone with MolForge

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Related Compounds

(5-chlorothiophen-2-yl)-[4-(2-ethyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)piperazin-1-yl]methanone
CID 53184307
[4-[6-(azepan-1-yl)pyridazin-3-yl]piperazin-1-yl]-(5-chlorothiophen-2-yl)methanone
CID 122334960
(5-chlorothiophen-2-yl)-(4-ethylpiperazin-1-yl)methanone
CID 25236154
1-[4-(5-chlorothiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 110696424
(5-chlorothiophen-2-yl)-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122341264
(5-chlorothiophen-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 134014867
(5-chlorothiophen-2-yl)-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122343810
2-[4-(5-chlorothiophene-2-carbonyl)piperazin-1-yl]-2-methylpropanenitrile
CID 60693017
1-(5-chlorothiophene-2-carbonyl)-5-methylpiperidine-3-carboxylic acid
CID 122119428
(5-chlorothiophen-2-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106671594
(5-chlorothiophen-2-yl)-(3-methylpyrrolidin-1-yl)methanone
CID 128961505
(5-chlorothiophen-2-yl)-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122347915

Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-2-yl)-[4-[(2R)-2-ethyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl]piperazin-1-yl]methanone?
The IUPAC name of (5-chlorothiophen-2-yl)-[4-[(2R)-2-ethyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl]piperazin-1-yl]methanone (CID 95106525) is (5-chlorothiophen-2-yl)-[4-[(2R)-2-ethyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl]piperazin-1-yl]methanone.
What is the SMILES notation for (5-chlorothiophen-2-yl)-[4-[(2R)-2-ethyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl]piperazin-1-yl]methanone?
The canonical SMILES for (5-chlorothiophen-2-yl)-[4-[(2R)-2-ethyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl]piperazin-1-yl]methanone is CC[C@@H]1CN2C=NC(N3CCN(C(=O)c4ccc(Cl)s4)CC3)=CC2=N1.
What is the InChIKey of (5-chlorothiophen-2-yl)-[4-[(2R)-2-ethyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl]piperazin-1-yl]methanone?
The InChIKey is ZXFNTYLYAKMBLN-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H20ClN5OS/c1-2-12-10-23-11-19-15(9-16(23)20-12)21-5-7-22(8-6-21)17(24)13-3-4-14(18)25-13/h3-4,9,11-12H,2,5-8,10H2,1H3/t12-/m1/s1.
What are the key properties of (5-chlorothiophen-2-yl)-[4-[(2R)-2-ethyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl]piperazin-1-yl]methanone?
(5-chlorothiophen-2-yl)-[4-[(2R)-2-ethyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl]piperazin-1-yl]methanone has a molecular weight of 377.90 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiophen-2-yl)-[4-[(2R)-2-ethyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 95106525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).